SCHEMBL177853

SCHEMBL177853

CC(C)(C)c1ccnc(NC(=O)Nc2ccc(F)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.69
NPC1 O15118 8/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
TP53 P04637 5/20 0.69
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.64
MAPT P10636 3/20 0.64
XBP1 P17861 1/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
MAPK14 Q16539 2/20 0.59
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2C9 P11712 2/20 0.52
ALDH1A1 P00352 1/20 0.52
BRAF P15056 1/20 0.52
KDR P35968 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 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
SCHEMBL4169778 0.95 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL177881 0.88 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5006751 0.81 RAF1 (0.63) TP53KMT2AMEN1MAPK14BRAF
SCHEMBL6584549 0.81 KDR (0.60) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL257978 0.81 RAF1 (0.65) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5008981 0.81 RAF1 (0.71) TP53MAPK14BRAFKDRRAF1
SCHEMBL5006752 0.81 MAPK14 (0.57) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL177679 0.80 KDR (0.59) RAB9ANPC1TP53MAPK14BRAF
SCHEMBL12203066 0.80 GCK (0.54) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL12203151 0.79 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2TP53KMT2A

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
EP-2386545-A1 Heteroaryl ureas containing nitrogen hetero-atoms as P38 kinase inhibitors Bayer Healthcare LLC (US) 2011-11-16 EP 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.