SCHEMBL442515

SCHEMBL442515

Clc1nccc(-c2cccnc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.64
HSP90AB1 P08238 1/20 0.64
PTK2 Q05397 1/20 0.64
ABL1 P00519 4/20 0.55
PRKCA P17252 2/20 0.55
PRKCD Q05655 2/20 0.55
EGFR P00533 2/20 0.55
BCR P11274 3/20 0.55
CYP2A6 P11509 8/20 0.52
CYP19A1 P11511 4/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
SRC P12931 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL30711773 1.00 HSP90AA1 (0.64) HSP90AA1HSP90AB1PTK2ABL1PRKCA
SCHEMBL5792146 0.98 HSP90AA1 (0.62) HSP90AA1HSP90AB1PTK2ABL1PRKCA
SCHEMBL17601433 0.81 HSP90AA1 (0.41) HSP90AA1HSP90AB1PTK2ABL1PRKCA
SCHEMBL18646838 0.81 CYP19A1 (0.61) HSP90AA1HSP90AB1PTK2CYP2A6CYP19A1
SCHEMBL22068195 0.81 ABL1 (0.68) HSP90AA1HSP90AB1PTK2ABL1PRKCA
SCHEMBL445042 0.80 MEN1 (0.59) HSP90AA1HSP90AB1ABL1PRKCAPRKCD
Pyrazine SCHEMBL28285881 0.79 KMT2A (0.53) HSP90AA1HSP90AB1PTK2ABL1PRKCA
SCHEMBL20354418 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1PTK2ABL1PRKCA
SCHEMBL13401647 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1PTK2ABL1PRKCA
SCHEMBL10817967 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1PTK2ABL1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110041310-B Preparation method and application of imatinib derivative 山东师范大学 2020-06-16 CN claimed
CN-110041310-A A kind of preparation method and application of Imatinib derivative 山东师范大学 2019-07-23 CN claimed
CN-101654416-A N-[3-nitro-4-methyl-phenyl]-4-aldehyde group-benzamide and preparation method thereof as well as preparation method of derivatives thereof CHENGDU HUTCHISON CHINA MEDICI 2010-02-24 CN claimed
US-7507821-B2 Process for preparing Imatinib CHEMAGIS LTD. (IL) 2009-03-24 US claimed
US-20060149061-A1 Novel process for preparing Imatinib PERRIGO API LTD. (IL) 2006-07-06 US claimed
WO-2025231152-A1 COMPOUNDS AND METHODS FOR RESTORING BETA-ADRENERGIC RECEPTOR FUNCTION THE CLEVELAND CLINIC FOUNDATION (US) 2025-11-06 WO disclosed
US-20250188068-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-06-12 US disclosed
US-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-02-27 US disclosed
US-11897868-B2 Heterocyclic inhibitors of PCSK9 Cardio Therapeutics Pty Ltd (AU) 2024-02-13 US disclosed
CN-117510513-A Heterocyclic compounds having biological activity 首药控股(北京)股份有限公司 2024-02-06 CN disclosed
WO-2024022244-A1 HETEROCYCLIC COMPOUND HAVING BIOLOGICAL ACTIVITY 首药控股(北京)股份有限公司 2024-02-01 WO disclosed
US-11793821-B2 Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME LLC (US) 2023-10-24 US disclosed
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP disclosed
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 US disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
WO-2004074287-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-09-02 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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 (7 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HSP90AA1 1044/4885HSP90AB1 797/4885PTK2 439/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HSP90AA1 1349/4885HSP90AB1 1004/4885PTK2 486/4885
US-11793821-B2 Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 HSP90AA1 3838/4885HSP90AB1 3529/4885PTK2 953/4885
US-11897868-B2 Heterocyclic inhibitors of PCSK9 PCSK9, PCSK6, PCSK7 HSP90AA1 4555/4885HSP90AB1 4220/4885PTK2 3570/4885
US-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 HSP90AA1 2896/4885HSP90AB1 3030/4885PTK2 691/4885
US-20250188068-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 HSP90AA1 3075/4885HSP90AB1 2793/4885PTK2 538/4885
US-20060149061-A1 Novel process for preparing Imatinib ABL1, ABL2, PDGFRA HSP90AA1 2642/4885HSP90AB1 2601/4885PTK2 585/4885

“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.