SCHEMBL178161

SCHEMBL178161

O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1cc2ccccc2cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.59
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.57
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 4/20 0.56
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
CCNC P24863 1/20 0.55
CDK8 P49336 1/20 0.55
RAF1 P04049 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL5008991 0.84 RAF1 (0.56) WNT3APOLBLMNARAF1KDM4E
SCHEMBL178166 0.81 MAPT (0.65) MAPTPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL177776 0.79 RAB9A (0.63) MAPTPOLBHTTSMN1; SMN2KMT2A
SCHEMBL177910 0.79 NPC1 (0.60) MAPTPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL20353578 0.78 IMPDH2 (0.80) MAPTLMNAHTTSMN1; SMN2GAA
SCHEMBL4238004 0.75 MAPT (0.75) MAPTPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL257978 0.75 RAF1 (0.65) MAPTPOLBLMNAHTTSMN1; SMN2
SCHEMBL1722613 0.74 WNT3A (1.00) WNT3AMEN1KMT2ARAB9A
SCHEMBL11618171 0.74 HTT (0.81) HTTNAMPT
SCHEMBL18317377 0.73 NAMPT (0.75) HTTTSHRNAMPT

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 WNT3A 2933/4885MAPT 150/4885POLB 2134/4885

“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.