SCHEMBL10087535

SCHEMBL10087535

CC(C)Nc1nc(N)c(C(=O)N=C(N)N)nc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 14/20 0.62
▸ CYP1A2 P05177 5/20 0.61
▸ TSHR P16473 4/20 0.61
▸ SLC9A1 P19634 4/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ GLA P06280 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ CYP2D6 P10635 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ GAA P10253 2/20 0.61
▸ FTO Q9C0B1 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ OPRM1 P35372 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ SLC9A5 Q14940 2/20 0.61
▸ SLC22A1 O15245 1/20 0.61
▸ HTR1A P08908 1/20 0.61
▸ MAOA P21397 1/20 0.61

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
SCHEMBL10087508 0.89 PLAU (0.63) PLAUCYP1A2TSHRSLC9A1KDM4E
Hydrochloric Acid SCHEMBL11618640 0.85 PLAU (0.52) PLAUCYP1A2TSHRSLC9A1KDM4E
SCHEMBL15290919 0.84 PLAU (0.67) PLAUCYP1A2TSHRSLC9A1KDM4E
SCHEMBL11612547 0.84 PLAU (0.46) PLAUCYP1A2TSHRSLC9A1KDM4E
SCHEMBL11612556 0.84 PLAU (0.46) PLAUCYP1A2TSHRSLC9A1KDM4E
SCHEMBL11586916 0.83 PLAU (0.49) PLAUCYP1A2TSHRSLC9A1KDM4E
SCHEMBL11529204 0.82 GRM5 (0.50) PLAUCYP1A2TSHRSLC9A1KDM4E
SCHEMBL11613699 0.82 PLAU (0.47) PLAUCYP1A2TSHRSLC9A1CYP2D6
SCHEMBL11465275 0.82 PLAU (0.44) PLAUCYP1A2TSHRSLC9A1KDM4E
SCHEMBL11481176 0.82 PLAU (0.44) PLAUCYP1A2TSHRSLC9A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108494-A1 INHIBITORS OF INTRACELLULAR UROKINASE PLASMINOGEN ACTIVATOR AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-03 — — 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-20120108494-A1 INHIBITORS OF INTRACELLULAR UROKINASE PLASMINOGEN ACTIVATOR AND METHODS OF USE THEREOF PLAU, PLAUR, DNPEP PLAU 1/4885CYP1A2 4875/4885TSHR 2353/4885

“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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