SCHEMBL13696590

SCHEMBL13696590

CC1=NNC(c2ccccc2)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TNKS2 Q9H2K2 3/20 0.36
▸ P2RX7 Q99572 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.34
▸ HPGD P15428 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 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
SCHEMBL13695994 0.75 MEN1 (0.34) MEN1KMT2ANPC1TNKS2P2RX7
SCHEMBL17196547 0.73 P2RX7 (0.46) MEN1KMT2ANPC1TNKS2P2RX7
SCHEMBL18977333 0.71 P2RX7 (0.43) MEN1KMT2ANPC1TNKS2P2RX7
SCHEMBL14438929 0.67 MEN1 (0.40) MEN1KMT2ANPC1TNKS2ALDH1A1
SCHEMBL10815805 0.64 ALDH1A1 (0.39) MEN1KMT2ANPC1TNKS2ALDH1A1
SCHEMBL15604879 0.63 — —
SCHEMBL1316915 0.63 MEN1 (0.44) MEN1KMT2ANPC1TNKS2ALDH1A1
SCHEMBL18125709 0.63 CYP2C19 (0.45) MEN1KMT2ANPC1TNKS2ALDH1A1
SCHEMBL11812669 0.63 CYP2C19 (0.45) MEN1KMT2ANPC1TNKS2ALDH1A1
SCHEMBL12787062 0.63 NISCH (0.43) MEN1KMT2ANPC1TNKS2ALDH1A1

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-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 — — 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-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A MEN1 2156/4885KMT2A 434/4885NPC1 3798/4885

“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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