SCHEMBL472553

SCHEMBL472553

COC(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
MAPK1 P28482 3/20 0.59
LMNA P02545 1/20 0.57
CFTR P13569 1/20 0.51
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.45
LIPE Q05469 1/20 0.44
LCK P06239 1/20 0.44
SCN9A Q15858 1/20 0.43
PTGS1 P23219 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30397090 1.00 KMT2A (0.62) KMT2AMAPK1LMNACFTRKDM4E
Ammonia Solution, Strong SCHEMBL28197882 0.98 KMT2A (0.60) KMT2AMAPK1LMNACFTRKDM4E
SCHEMBL17138424 0.87 MAPK1 (0.56) KMT2AMAPK1LMNACFTRKDM4E
SCHEMBL17138423 0.87 MAPK1 (0.56) KMT2AMAPK1LMNACFTRKDM4E
SCHEMBL1397745 0.84 MAPK1 (0.61) KMT2AMAPK1LMNAKDM4EL3MBTL1
SCHEMBL17138392 0.84 MAPK1 (0.53) KMT2AMAPK1LMNACFTRKDM4E
SCHEMBL17138428 0.83 MAPK1 (0.51) KMT2AMAPK1LMNACFTRKDM4E
SCHEMBL10328702 0.83 KMT2A (0.62) KMT2AMAPK1LMNAPOLBGAA
SCHEMBL29664542 0.82 POLB (0.57) KMT2ALMNAKDM4EL3MBTL1POLB
SCHEMBL5440798 0.82 POLB (0.57) KMT2ALMNAKDM4EL3MBTL1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340568-A1 SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION VERTEX PHARMA (US) 2025-11-06 US disclosed
EP-4638436-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-10-29 EP disclosed
US-20250320226-A1 METHODS OF PREPARING AND CRYSTALLINE FORMS OF (6A,12A)-17-AMINO-12-METHYL-6,15-BIS(TRIFLUOROMETHYL)-13,19-DIOXA-3,4,18-TRIAZATRICYCLO[12.3.1.12,5]NONADECA-1(18),2,4,14,16-PENTAEN-6-OL VERTEX PHARMA (US) 2025-10-16 US disclosed
US-12441703-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-10-14 US disclosed
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20250179091-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-06-05 US disclosed
EP-4192829-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-05-07 EP disclosed
WO-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-04-17 US disclosed
US-12269831-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-08 US disclosed
US-20080275239-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-11-06 US disclosed
US-20080207905-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-08-28 US disclosed
US-20080207905-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-08-28 US disclosed
US-20080200678-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-08-21 US disclosed
US-20080200678-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-08-21 US disclosed
EP-1156048-B1 Heteroaroyl-isoxazoles and their use as herbicides BAYER AGRICULTURE LTD (GB) 2007-08-08 EP disclosed
EP-0588357-B1 Isoxazoles derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-06-12 EP disclosed
EP-1156048-A1 Heteroaroyl-isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 2001-11-21 EP disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed
US-4999364-A Azole derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12269831-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B KMT2A 4654/4885MAPK1 3979/4885LMNA 4099/4885
US-20080200678-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same RPS10, SCO2, NFE2L2 KMT2A 939/4885MAPK1 558/4885LMNA 2984/4885
US-20080275239-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SCO2, NFE2L2, SOD1 KMT2A 1787/4885MAPK1 437/4885LMNA 2449/4885
US-12441703-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A KMT2A 1313/4885MAPK1 3687/4885LMNA 2874/4885
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KMT2A 4654/4885MAPK1 3979/4885LMNA 4099/4885
US-20250340568-A1 SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION CFTR, SLC26A4, PKD1 KMT2A 4475/4885MAPK1 4124/4885LMNA 2358/4885
US-20250179091-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KMT2A 4654/4885MAPK1 3979/4885LMNA 4099/4885
US-20250320226-A1 METHODS OF PREPARING AND CRYSTALLINE FORMS OF (6A,12A)-17-AMINO-12-METHYL-6,15-BIS(TRIFLUOROMETHYL)-13,19-DIOXA-3,4,18-TRIAZATRICYCLO[12.3.1.12,5]NONADECA-1(18),2,4,14,16-PENTAEN-6-OL CFTR, PKD1, AQP1 KMT2A 2491/4885MAPK1 3356/4885LMNA 897/4885
US-20080207905-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same NOX5, PRMT5, SIRT5 KMT2A 1202/4885MAPK1 1221/4885LMNA 3974/4885
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B KMT2A 4654/4885MAPK1 3979/4885LMNA 4099/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.