SCHEMBL1606293

SCHEMBL1606293

Clc1cncc(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 4/20 0.65
KDM4E B2RXH2 3/20 0.65
MAPT P10636 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CASP3 P42574 2/20 0.65
SENP8 Q96LD8 2/20 0.65
SENP7 Q9BQF6 2/20 0.65
SENP6 Q9GZR1 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
CYP2C19 P33261 1/20 0.65
CYP19A1 P11511 2/20 0.64
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
VCP P55072 1/20 0.47
CDK5 Q00535 2/20 0.47

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
SCHEMBL25168239 0.90 CYP19A1 (0.72) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL7951268 0.83 CDK5 (0.54) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL1919663 0.82 CYP19A1 (0.62) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL29482430 0.82 CYP19A1 (0.62) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL1606850 0.82 CYP19A1 (0.62) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL4247549 0.82 CYP19A1 (0.62) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL1606452 0.82 CYP19A1 (0.62) NPC1RAB9AKDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL5534558 0.81 CYP19A1 (0.60) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL4892343 0.79 NPC1 (0.69) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL30048239 0.79 NPC1 (0.69) NPC1RAB9AKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958850-B2 Heteroaryl compounds for kinase inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-16 US disclosed
US-20230102829-A1 Heteroaryl Compounds For Kinase Inhibition ARIAD PHARMACEUTICALS, INC. 2023-03-30 US disclosed
CN-110526912-B Heteroaryl compounds for kinase inhibition 武田药品工业株式会社 2023-02-14 CN disclosed
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 EP disclosed
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 EP disclosed
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 EP disclosed
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 EP disclosed
US-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2019-07-18 US disclosed
US-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2019-07-18 US disclosed
US-10227342-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (6 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-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 NPC1 1195/4885RAB9A 963/4885KDM4E 3491/4885
US-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NPC1 142/4885RAB9A 4325/4885KDM4E 3921/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NPC1 142/4885RAB9A 4325/4885KDM4E 3921/4885
US-11958850-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 NPC1 1195/4885RAB9A 963/4885KDM4E 3491/4885
US-10227342-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 NPC1 1195/4885RAB9A 963/4885KDM4E 3491/4885
US-20230102829-A1 Heteroaryl Compounds For Kinase Inhibition ERBB2, EGFR, ERBB3 NPC1 1195/4885RAB9A 963/4885KDM4E 3491/4885

“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.