SCHEMBL16201838

SCHEMBL16201838

CCc1cnc(N)cc1Nc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.51
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ PTGS1 P23219 2/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ BRD9 Q9H8M2 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CDK8 P49336 2/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ P2RY2 P41231 1/20 0.40
▸ P2RY4 P51582 1/20 0.40
▸ P2RY6 Q15077 1/20 0.40

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
SCHEMBL16201831 0.83 BRD4 (0.49) EGFRPTGS1PTGS2BRD4KAT2B
SCHEMBL15059195 0.79 AURKB (0.50) RAB9ANPC1SMN1; SMN2
SCHEMBL15059636 0.76 SMN1; SMN2 (0.54) EGFRCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL16201835 0.76 PIK3CA (0.61) —
SCHEMBL8798667 0.73 EGFR (0.61) EGFRNPSR1RAB9AERBB2SMN1; SMN2
SCHEMBL16201834 0.72 NPC1 (0.51) EGFRNPSR1RAB9ANPC1
SCHEMBL20355107 0.70 NPC1 (0.48) EGFRNPSR1RAB9ANPC1NOD1
SCHEMBL4544782 0.68 NFKB1 (0.54) NPSR1RAB9ANPC1SMN1; SMN2NOD1
SCHEMBL6836432 0.68 EGFR (1.00) EGFRERBB2
SCHEMBL2991673 0.68 EGFR (1.00) EGFRERBB2

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 EGFR 2899/4885NOS3 1119/4885NOS1 995/4885

“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.

Send feedback