SCHEMBL559332

SCHEMBL559332

Cc1nc(N)nc(Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
PDE10A Q9Y233 2/20 0.38
GRM4 Q14833 1/20 0.37
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
NUDT1 P36639 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL4287559 0.86 PDE10A (0.44) KDM4EALDH1A1LMNANPSR1PDE10A
SCHEMBL7919954 0.80 KDM4E (0.50) KDM4EALDH1A1LMNATLR8TLR7
SCHEMBL29308077 0.79 PDE10A (0.52) ALDH1A1LMNAPDE10ACYP1A2ADORA2A
SCHEMBL20421684 0.79 TLR8 (0.44) KDM4EALDH1A1LMNANPSR1TLR8
SCHEMBL9178364 0.79 KDM4E (0.40) KDM4EALDH1A1LMNANPSR1TLR8
SCHEMBL24309857 0.75 PDE10A (0.35) KDM4EALDH1A1LMNANPSR1PDE10A
SCHEMBL392017 0.75 TLR8 (0.42) KDM4EALDH1A1LMNANPSR1TLR8
SCHEMBL1983684 0.75 NR1I2 (0.47) KDM4EALDH1A1LMNANPSR1TLR8
SCHEMBL5750472 0.75 TLR8 (0.42) KDM4EALDH1A1LMNANPSR1TLR8
SCHEMBL11461473 0.75 TLR8 (0.48) KDM4EALDH1A1LMNANPSR1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4263524-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS Cytokinetics, Inc. (US) 2023-10-25 EP disclosed
US-11773067-B2 (Trifluoromethyl)pyrimidine-2-amine compounds ELI LILLY AND COMPANY (US) 2023-10-03 US disclosed
US-20220213055-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVIL ACTIVITY UNIV VIRGINIA PATENT FOUNDATION (US) 2022-07-07 US disclosed
WO-2022140290-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. (US) 2022-06-30 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-3962485-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVILACTIVITY University Of Virginia Patent Foundation (US) 2022-03-09 EP disclosed
EP-3527572-B1 PYRAZOLOPYRIMIDINE COMPOUND AS PI3K INHIBITOR AND USE THEREOF SHENZHEN BO LI JIAN MEDICINE CO LTD (CN) 2021-12-22 EP disclosed
US-10875885-B2 β-d-2′-deoxy-2′-α-fluoro-2′-β-c-substituted-2-modified-n6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2020-12-29 US disclosed
WO-2003062227-A1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-31 WO disclosed
EP-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP disclosed
CN-1109675-C Aryl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2003-05-28 CN disclosed
US-5958934-A 5-HT 2B ANTAGONIST SYNTEX (U.S.A.) INC. (US) 1999-09-28 US disclosed
US-5952331-A SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER SYNTEX (USA) INC. (US) 1999-09-14 US disclosed
CN-1223641-A Aryl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 1999-07-21 CN disclosed
EP-0901474-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US disclosed
WO-1997044326-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-27 WO disclosed
WO-1991018887-A1 DIAMINOPYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1991-12-12 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 (4 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-11773067-B2 (Trifluoromethyl)pyrimidine-2-amine compounds P2RX1, P2RX2, P2RY1 KDM4E 1718/4885ALDH1A1 276/4885LMNA 4015/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4141/4885ALDH1A1 3992/4885LMNA 4052/4885
US-10875885-B2 β-d-2′-deoxy-2′-α-fluoro-2′-β-c-substituted-2-modified-n6-substituted purine nucleotides for HCV treatment NSUN2, PNP, NUDT1 KDM4E 3805/4885ALDH1A1 1295/4885LMNA 1327/4885
US-20220213055-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVIL ACTIVITY VCL, VPS28, HDLBP KDM4E 2355/4885ALDH1A1 1890/4885LMNA 1906/4885

“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.