SCHEMBL745571

SCHEMBL745571

[c]1ccc(-c2cccnc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.62
CYP3A4 P08684 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 1/20 0.62
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MKNK1 Q9BUB5 4/20 0.46
MKNK2 Q9HBH9 4/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
PSIP1 O75475 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
SCHEMBL745572 0.82
SCHEMBL69790 0.80 ALDH1A1 (0.43) CYP2A6CYP3A4ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL29419014 0.79 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL120088 0.79 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL30473120 0.79 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL38501 0.78 CYP2A6 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL746460 0.78 CYP2A6 (0.46) CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL745205 0.78 MAPT (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL9958009 0.77 CYP2A6 (0.65) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
Hydrochloric Acid SCHEMBL4831090 0.77 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344637-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2022-05-31 US claimed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
EP-3340796-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-04-21 EP claimed
EP-3807265-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA Reata Pharmaceuticals, Inc. (US) 2021-04-21 EP claimed
CN-112654610-A Pyrazole and imidazole compounds for inhibiting IL-17 and ROR gamma 里亚塔医药公司 2021-04-13 CN claimed
CN-108135172-B Probes for imaging huntingtin CHDI基金会股份有限公司 2021-03-30 CN claimed
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-03-04 US claimed
US-10765764-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2020-09-08 US claimed
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2019-06-06 US claimed
US-10137211-B2 Probes for imaging Huntingtin protein CHDI FOUNDATION, INC. (US) 2018-11-27 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 CYP2A6 2885/4885CYP3A4 2138/4885ALDH1A1 2501/4885
US-11344637-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 CYP2A6 4875/4885CYP3A4 4877/4885ALDH1A1 3976/4885
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 CYP2A6 4875/4885CYP3A4 4877/4885ALDH1A1 3976/4885
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 CYP2A6 4875/4885CYP3A4 4877/4885ALDH1A1 3976/4885
US-10765764-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 CYP2A6 4875/4885CYP3A4 4877/4885ALDH1A1 3976/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA CYP2A6 764/4885CYP3A4 270/4885ALDH1A1 672/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 CYP2A6 382/4885CYP3A4 82/4885ALDH1A1 233/4885
US-10137211-B2 Probes for imaging Huntingtin protein HTT, HYPK, FABP7 CYP2A6 4878/4885CYP3A4 4881/4885ALDH1A1 4205/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 CYP2A6 724/4885CYP3A4 171/4885ALDH1A1 133/4885

“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.