SCHEMBL15314282

SCHEMBL15314282

CC1C(=O)Nc2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PGR P06401 2/20 0.42
GSK3B P49841 2/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
BRPF1 P55201 1/20 0.35
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP19A1 P11511 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13185757 0.85 PDE3B (0.43) PDE3BPDE3APGRGSK3BBMPR1B
SCHEMBL14030330 0.79 GSK3B (0.39) PDE3BPDE3AGSK3BBRPF1CREBBP
SCHEMBL14048227 0.77 GSK3B (0.48) PGRGSK3BALDH1A1ADORA3ADORA2A
SCHEMBL11914649 0.77 GSK3B (0.41) GSK3BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL19153677 0.75 BMPR1B (0.40) PDE3BPDE3APGRBMPR1BBMPR1A
SCHEMBL19645814 0.74 PGR (0.63) PDE3BPDE3APGRGSK3BBMPR1B
SCHEMBL14391493 0.74 GSK3B (0.36) GSK3BALDH1A1ADORA3ADORA2AADORA1
SCHEMBL9110149 0.73 CREBBP (0.59) GSK3BBRPF1CREBBPALDH1A1ADORA3
SCHEMBL9414037 0.73 CREBBP (0.59) GSK3BBRPF1CREBBPALDH1A1ADORA3
SCHEMBL9110151 0.73 CREBBP (0.59) GSK3BBRPF1CREBBPALDH1A1ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 US 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 (1 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885PGR 3627/4885

“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.