SCHEMBL4330036

SCHEMBL4330036

CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 1.00
MEN1 O00255 8/20 1.00
MAPT P10636 6/20 1.00
LMNA P02545 4/20 1.00
GAA P10253 3/20 1.00
HTT P42858 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
TSHR P16473 3/20 1.00
MAPK1 P28482 3/20 1.00
USP2 O75604 2/20 1.00
CASP1 P29466 2/20 1.00
CASP7 P55210 2/20 1.00
TP53 P04637 2/20 1.00
ALOX15 P16050 2/20 1.00
NPC1 O15118 4/20 0.73
TUBB4A P04350 2/20 0.58
TUBB P07437 2/20 0.58
TUBA3C P0DPH7 2/20 0.58
TUBA1B P68363 2/20 0.58
TUBA4A P68366 2/20 0.58

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
SCHEMBL30628026 1.00 KMT2A (1.00) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4325759 0.91 MEN1 (0.83) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4331766 0.91 MEN1 (0.83) KMT2AMEN1MAPTLMNAGAA
SCHEMBL30628028 0.88 MEN1 (0.79) KMT2AMEN1MAPTLMNAGAA
SCHEMBL28650070 0.88 MEN1 (0.79) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4331607 0.88 MEN1 (0.79) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4323748 0.87 MEN1 (0.78) KMT2AMEN1MAPTLMNAGAA
SCHEMBL30628032 0.87 MEN1 (0.78) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4333678 0.87 MEN1 (0.78) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4330162 0.86 MEN1 (0.76) KMT2AMEN1MAPTLMNAGAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507762-B2 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-03-24 US claimed
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US claimed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP claimed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP claimed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO claimed
CN-113620919-B Mechanical ball milling assisted synthesis method of 2-amino-3-cyano-4H-pyran compound 浙江工业大学 2023-12-12 CN disclosed
CN-113620919-A Mechanical ball-milling auxiliary synthesis method of 2-amino-3-cyano-4H-pyran compounds 浙江工业大学 2021-11-09 CN disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
US-7507762-B2 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-03-24 US disclosed
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US disclosed
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US disclosed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP disclosed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO 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 (2 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-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, CASP5 KMT2A 3138/4885MEN1 2868/4885MAPT 4779/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 KMT2A 4582/4885MEN1 4510/4885MAPT 5/4885

“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.