SCHEMBL177910

SCHEMBL177910

O=C(Nc1ccc(F)cc1)Nc1cc2ccccc2cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
KMT2A Q03164 4/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 2/20 0.57
CHEK1 O14757 1/20 0.56
GBA1 P04062 1/20 0.55
POLB P06746 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
HTT P42858 1/20 0.50
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49

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
SCHEMBL177776 0.86 RAB9A (0.63) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5008991 0.80 RAF1 (0.56) LMNACHEK1POLBTAAR1KDR
SCHEMBL178161 0.79 WNT3A (0.59) RAB9ASMN1; SMN2KMT2ALMNACHEK1
SCHEMBL14470404 0.79 NPC1 (0.77) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL2841751 0.75 NOTUM (0.57) CHEK1ALDH1A1CYP1A2NOTUM
SCHEMBL178008 0.74 KDM4E (0.60) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL11056635 0.74 SMN1; SMN2 (0.74) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL13363791 0.74 CHEK1 (0.61) RAB9AKMT2ALMNATP53CHEK1
SCHEMBL3070329 0.74 KMT2A (0.76) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL12410299 0.74 PIK3CA (0.57) CHEK1NOTUMMAPK14

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 NPC1 717/4885RAB9A 1159/4885SMN1; 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.