SCHEMBL14945235

SCHEMBL14945235

Cc1ccc(Cn2nc(C(=O)NN)c3ccc(Cl)cc32)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KMO O15229 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL1050104 0.96 CYP1A2 (0.56) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL1050633 0.92 CYP1A2 (0.62) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL12787990 0.89 CYP1A2 (0.56) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL1048094 0.87 CYP1A2 (0.44) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL1048830 0.87 MAPT (0.55) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL1051693 0.87 CYP1A2 (0.54) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL1046113 0.85 CYP1A2 (0.56) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL1050083 0.84 CYP1A2 (0.53) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL1046272 0.84 CYP1A2 (0.53) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL1051220 0.84 CYP1A2 (0.55) CYP1A2CYP2C9CYP3A4CYP2D6TSHR

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-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 — — US disclosed
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 — — 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-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP1A2 348/4885CYP2C9 784/4885CYP3A4 1218/4885

“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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