SCHEMBL21259009

SCHEMBL21259009

COC(c1ccccc1)(c1ccccc1)c1cncc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.45
▸ CDK2 P24941 3/20 0.42
▸ GRM5 P41594 1/20 0.33
▸ DRD2 P14416 3/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ HRH1 P35367 3/20 0.32
▸ CTSA P10619 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CSF1R P07333 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.30
▸ CES1 P23141 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30
▸ NTRK1 P04629 1/20 0.30

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
SCHEMBL21258933 0.76 CYP19A1 (0.45) CYP19A1CDK2CYP3A4
SCHEMBL20774868 0.72 HSD17B10 (0.39) CDK2HTR2ACYP3A4
Methoxytriphenylmethane SCHEMBL9103 0.70 MAPK1 (0.48) CYP19A1CYP3A4TSHRCES1
SCHEMBL21384637 0.68 GRM5 (0.35) CDK2GRM5CTSACSF1RNTRK1
SCHEMBL15864925 0.68 CDK2 (0.54) CDK2GRM5DRD2HTR2AHRH1
Methoxytriphenylmethane SCHEMBL27882817 0.68 MAPK1 (0.46) CYP19A1TSHRCES1
SCHEMBL2625520 0.67 CDK2 (0.44) CDK2HTR2ACYP3A4TSHRHRH4
SCHEMBL20773042 0.64 CDK2 (0.41) CDK2HTR2ACYP3A4TSHR
SCHEMBL20574980 0.64 CDK2 (0.41) CYP19A1CDK2HTR2ACYP3A4TSHR
SCHEMBL20773921 0.64 CDK2 (0.41) CDK2HTR2ACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2021-03-25 — — US disclosed
EP-3750879-A1 PROSTACYCLIN RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-12-16 — — EP disclosed
WO-2019154363-A1 PROSTACYCLIN RECEPTOR AGONIST 南京明德新药研发有限公司 2019-08-15 — — 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 (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-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST PTGIR, TBXA2R, PTGFR CYP19A1 866/4885CDK2 2766/4885GRM5 234/4885

“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.

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