SCHEMBL625038

SCHEMBL625038

C1CC2(CC[N]1)CCNCC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.38
TSHR P16473 4/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 4/20 0.34
ALDH1A1 P00352 4/20 0.34
USP2 O75604 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP1A2 P05177 2/20 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
SCHEMBL8056774 0.90 CYP2D6 (0.33) CYP2D6TSHRCYP3A4HPGDALDH1A1
SCHEMBL8055973 0.88 ALDH1A1 (0.35) CYP2D6TSHRCYP3A4ALDH1A1USP2
SCHEMBL625428 0.83 ALDH1A1 (0.32) CYP2D6TSHRCYP3A4HPGDALDH1A1
SCHEMBL8057798 0.83 ALDH1A1 (0.33) CYP2D6TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL437738 0.83 TSHR (0.35) TSHR
SCHEMBL28658 0.80 CYP2D6 (0.42) CYP2D6TSHRCYP3A4HPGDALDH1A1
SCHEMBL346839 0.77
SCHEMBL238200 0.77
Hydrochloric Acid SCHEMBL29784260 0.77 CYP2D6 (0.41) CYP2D6TSHRCYP3A4HPGDALDH1A1
SCHEMBL20160644 0.77 CYP2D6 (0.41) CYP2D6TSHRCYP3A4HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US claimed
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US claimed
EP-4192588-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 EP claimed
EP-4182032-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-05-24 EP claimed
US-11639352-B2 Benzothiazole compounds for the treatment of autoimmune diseases HOFFMAN-LA ROCHE INC. (US) 2023-05-02 US claimed
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO claimed
US-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ASTRAZENECA UK LIMITED (GB) 2022-06-02 US claimed
US-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-04-14 US claimed
EP-3947376-A1 ESTROGEN RECEPTOR DEGRADING PROTACS Astrazeneca AB (SE) 2022-02-09 EP claimed
WO-2022013136-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2022-01-20 WO claimed
EP-2170889-B1 6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP claimed
US-8846676-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-09-30 US claimed
US-8354405-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-15 US claimed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP claimed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO claimed
US-20100179154-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-15 US claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US claimed
EP-0885227-A1 PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP claimed
WO-1997032882-A1 PYRIMIDO[5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 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 (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-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, KCNJ1, KCNJ11 CYP2D6 1180/4885TSHR 180/4885CYP3A4 1728/4885
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 CYP2D6 2614/4885TSHR 1241/4885CYP3A4 2893/4885
US-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ESR1, GPER1, ESRRG CYP2D6 304/4885TSHR 142/4885CYP3A4 720/4885
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, CNKSR1, UACA CYP2D6 1170/4885TSHR 76/4885CYP3A4 1455/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CYP2D6 2331/4885TSHR 1458/4885CYP3A4 3178/4885
US-11639352-B2 Benzothiazole compounds for the treatment of autoimmune diseases SSB, BET1, HLA-DRB1 CYP2D6 1560/4885TSHR 220/4885CYP3A4 2308/4885
US-20100179154-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, DHFR, IL4I1 CYP2D6 94/4885TSHR 405/4885CYP3A4 236/4885

“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.