SCHEMBL194930

SCHEMBL194930

O=Cc1csc2ccncc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.56
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
ERN1 O75460 5/20 0.35
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL40953 0.72 CYP2A6 (1.00) CYP2A6ERN1ALDH1A1KMT2AKDM4E
SCHEMBL3962397 0.72 CYP2A6 (0.53) CYP2A6CCNT1CDK9HASPINALDH1A1
SCHEMBL30076672 0.72 CYP2A6 (1.00) CYP2A6ERN1ALDH1A1KMT2AKDM4E
SCHEMBL30940059 0.72 CYP2A6 (0.53) CYP2A6CCNT1CDK9HASPINALDH1A1
SCHEMBL14438020 0.71 CYP2A6 (0.51) CYP2A6ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL1006461 0.71 CYP2A6 (0.56) CYP2A6ALDH1A1KMT2AKDM4EHTT
SCHEMBL28913407 0.71 CYP2A6 (0.51) CYP2A6ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL31167180 0.71 CYP2A6 (0.56) CYP2A6ALDH1A1KMT2AKDM4EHTT
SCHEMBL10285458 0.70 CYP2A6 (0.47) CYP2A6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL32691280 0.70 MAPT (0.56) CYP2A6ALDH1A1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-11 US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US disclosed
EP-3929187-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-12-29 EP disclosed
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-10844011-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-24 US disclosed
EP-2963019-B1 METHOD FOR PRODUCING PYRIDINE-3-SULFONYL CHLORIDE TAKEDA PHARMACEUTICALS CO (JP) 2020-08-12 EP disclosed
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-04-16 US disclosed
EP-3613734-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-02-26 EP disclosed
EP-3241826-B1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-30 EP disclosed
US-10370357-B2 Method for producing sulfonyl chloride compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-06 US disclosed
CN-1263526-A Triazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-16 CN disclosed
WO-1999011634-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-11 WO disclosed
WO-1997011075-A1 TRIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-27 WO disclosed
EP-0305939-B1 Process of producing sulfonylurea derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-11-02 EP disclosed
US-4994571-A Reacting heterocycle-containing sulfonamide compound with carbonyl compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-19 US disclosed
EP-0217530-B1 DIHYDROPYRIDINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4902694-A TREATING CONGESTIVE HEART FAILURE ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
EP-0305939-A1 Process of producing sulfonylurea derivatives Takeda Chemical Industries, Ltd. (JP) 1989-03-08 EP disclosed
US-4659717-A CAUSING VASODILATION ELI LILLY AND COMPANY (US) 1987-04-21 US disclosed
EP-0217530-A1 Dihydropyridines ELI LILLY AND COMPANY (US) 1987-04-08 EP 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-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP2A6 46/4885CCNT1 2559/4885CDK9 699/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP2A6 46/4885CCNT1 2559/4885CDK9 699/4885
US-10370357-B2 Method for producing sulfonyl chloride compound P2RY4, P2RY6, P2RX4 CYP2A6 70/4885CCNT1 2415/4885CDK9 2586/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP2A6 46/4885CCNT1 2559/4885CDK9 699/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD CYP2A6 46/4885CCNT1 2559/4885CDK9 699/4885
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI CYP2A6 406/4885CCNT1 1016/4885CDK9 2751/4885

“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.