SCHEMBL1430632

SCHEMBL1430632

c1ncn(CN2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
FDPS P14324 1/20 0.35
HSP90AA1 P07900 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23201120 0.98 CYP19A1 (0.38) CYP19A1EGLN3FDPSHSP90AA1TSHR
SCHEMBL3053118 0.91 CYP19A1 (0.41) CYP19A1EGLN3FDPSHSP90AA1ALDH1A1
SCHEMBL8708386 0.82 CYP19A1 (0.35) CYP19A1EGLN3FDPSALDH1A1HPGD
SCHEMBL4474312 0.82 CYP19A1 (0.35) CYP19A1EGLN3FDPSHSP90AA1SMN1; SMN2
SCHEMBL5657617 0.78 CYP19A1 (0.48) CYP19A1EGLN3FDPSHSP90AA1ALDH1A1
SCHEMBL8623023 0.77 GAA (0.34) CYP19A1EGLN3FDPS
SCHEMBL10517398 0.71 CYP19A1 (0.33) CYP19A1EGLN3FDPSTSHR
SCHEMBL10338984 0.69 EGLN3 (0.56) CYP19A1EGLN3TSHRALDH1A1MAPT
SCHEMBL9557335 0.69
SCHEMBL5062698 0.69 KMT2A (0.41) CYP19A1EGLN3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363649-A1 ORGANIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2022-11-17 US disclosed
EP-2164825-B1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI SA (FR) 2014-04-30 EP disclosed
US-20130096305-A1 DEUTERATED HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130096305-A1 DEUTERATED HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130096305-A1 DEUTERATED HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
EP-2300443-B1 TRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2012-12-12 EP disclosed
EP-2300443-B1 TRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2012-12-12 EP disclosed
US-8263623-B2 Triazol derivatives useful for the treatment of diseases PFIZER INC. (US) 2012-09-11 US disclosed
US-8263623-B2 Triazol derivatives useful for the treatment of diseases PFIZER INC. (US) 2012-09-11 US disclosed
US-8263623-B2 Triazol derivatives useful for the treatment of diseases PFIZER INC. (US) 2012-09-11 US disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
EP-2300443-A1 TRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2011-03-30 EP disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
EP-2164825-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis (FR) 2010-03-24 EP disclosed
WO-2010004517-A1 TRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2010-01-14 WO disclosed
WO-2010004517-A1 TRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2010-01-14 WO disclosed
US-20100010040-A1 Triazol Derivatives Useful For The Treatment of Diseases PFIZER INC 2010-01-14 US disclosed
US-20100010040-A1 Triazol Derivatives Useful For The Treatment of Diseases PFIZER INC 2010-01-14 US disclosed
US-20100010040-A1 Triazol Derivatives Useful For The Treatment of Diseases PFIZER INC 2010-01-14 US disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 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 (4 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-20100010040-A1 Triazol Derivatives Useful For The Treatment of Diseases TSLP, IL5, EPX CYP19A1 119/4885EGLN3 300/4885FDPS 318/4885
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A2, RYR2 CYP19A1 1220/4885EGLN3 2614/4885FDPS 1981/4885
US-20220363649-A1 ORGANIC COMPOUNDS TRPA1, OPRL1, ALG3 CYP19A1 512/4885EGLN3 150/4885FDPS 1148/4885
US-20130096305-A1 DEUTERATED HIV ATTACHMENT INHIBITORS VCAM1, CD4, ICAM1 CYP19A1 3419/4885EGLN3 106/4885FDPS 1372/4885

“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.