SCHEMBL16201834

SCHEMBL16201834

CCc1cnc(NCc2ccc(OC)cc2)cc1Nc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ EGFR P00533 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ MAP2K7 O14733 1/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ DYRK1A Q13627 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
SCHEMBL15059077 0.84 RAB9A (0.51) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL20489685 0.78 NPC1 (0.53) NPC1RAB9AEGFRMAPTKMT2A
SCHEMBL21722571 0.75 MAPT (0.65) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL24156425 0.74 EGFR (0.51) NPC1RAB9AEGFRALDH1A1KMT2A
SCHEMBL15179532 0.73 ALDH1A1 (0.48) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL24156426 0.73 EGFR (0.52) NPC1RAB9AEGFRMAPTKMT2A
SCHEMBL16201835 0.73 PIK3CA (0.61) —
SCHEMBL16201838 0.72 EGFR (0.51) NPC1RAB9AEGFRNPSR1
SCHEMBL16201831 0.72 BRD4 (0.49) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL24156721 0.71 CCNA2 (0.44) EGFRALDH1A1MAPTCLK4CYP1A2

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-9060515-B2 Heterocyclic urea compounds BIOTA EUROPE LTD. (GB) 2015-06-23 — — US disclosed
US-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS SPERO GYRASE, INC. 2014-10-30 — — 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-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS UMPS, URB2, UROD NPC1 2664/4885RAB9A 1424/4885EGFR 2899/4885

“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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