SCHEMBL178166

SCHEMBL178166

O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1cnc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
POLB P06746 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 2/20 0.62
KDR P35968 6/20 0.58
FLT1 P17948 5/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
CCNC P24863 1/20 0.55
CDK8 P49336 1/20 0.55

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
SCHEMBL4112611 0.84 RAB9A (0.74) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL27866684 0.83 NPC1 (0.80) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL178161 0.81 WNT3A (0.59) MAPTRAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL22803564 0.79 NPC1 (0.70) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL16990612 0.78 FLT1 (0.55) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL8562464 0.77 RAB9A (0.72) MAPTNPC1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL9394534 0.77 RAB9A (0.68) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL5344534 0.77 CDK5 (0.69) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL3799886 0.76 RAB9A (0.62) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL20353578 0.75 IMPDH2 (0.80) MAPTNPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386545-A1 Heteroaryl ureas containing nitrogen hetero-atoms as P38 kinase inhibitors Bayer Healthcare LLC (US) 2011-11-16 EP claimed
JP-4359817-B2 2009-11-11 JP claimed
JP-2004537511-A 2004-12-16 JP claimed
EP-1379507-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2004-01-14 EP claimed
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 WO claimed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 US claimed

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-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 MAPT 150/4885NPC1 717/4885RAB9A 1159/4885

“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.