SCHEMBL177776

SCHEMBL177776

Cc1ccc(NC(=O)Nc2cc3ccccc3cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.63
NPC1 O15118 8/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
MAPT P10636 3/20 0.63
POLB P06746 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.58
TP53 P04637 3/20 0.57
GBA1 P04062 1/20 0.57
IMPDH2 P12268 1/20 0.57
CHEK1 O14757 1/20 0.56
ALDH1A1 P00352 1/20 0.54
CSF1R P07333 1/20 0.52
RET P07949 1/20 0.52
PDGFRB P09619 1/20 0.52
KIT P10721 1/20 0.52
PDGFRA P16234 1/20 0.52
FLT3 P36888 1/20 0.52
KMT2A Q03164 2/20 0.51
NOTUM Q6P988 1/20 0.51
MTOR P42345 1/20 0.51

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
SCHEMBL177910 0.86 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL5008991 0.80 RAF1 (0.56) POLBIMPDH2CHEK1
SCHEMBL178161 0.79 WNT3A (0.59) RAB9ASMN1; SMN2MAPTPOLBIMPDH2
SCHEMBL27260234 0.79 HDAC6 (0.56) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL2841751 0.78 NOTUM (0.57) CHEK1ALDH1A1NOTUMMTOR
SCHEMBL4122349 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL2319091 0.77 NOTUM (0.56) L3MBTL1CHEK1ALDH1A1NOTUMMTOR
SCHEMBL13101606 0.77 ABL1 (0.57) CHEK1ALDH1A1KMT2ANOTUMMTOR
SCHEMBL12410299 0.77 PIK3CA (0.57) CHEK1NOTUMMTOR
SCHEMBL12376736 0.77 CHEK1 (0.56) RAB9ANPC1SMN1; SMN2TP53CHEK1

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 RAB9A 1159/4885NPC1 717/4885SMN1; SMN2 2862/4885

“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.