SCHEMBL6085797

SCHEMBL6085797

CC(=O)Nc1cccc(-c2n[nH]cc2-c2nc3c(C)ccc(C(C)C)c3o2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK10 P53779 1/20 0.42
NQO2 P16083 1/20 0.41
TP53 P04637 4/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TTK P33981 1/20 0.39
MAPK8 P45983 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
PSMB11 A5LHX3 1/20 0.38
PSMD11 O00231 1/20 0.38
PSMD12 O00232 1/20 0.38
PSMD14 O00487 1/20 0.38

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
SCHEMBL6084819 0.91 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL6084903 0.89 MEN1 (0.44) NPC1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL6086423 0.88 TSHR (0.46) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL6086056 0.88 POLB (0.44) NPC1RAB9ASMN1; SMN2TSHRPOLB
SCHEMBL6085149 0.86 MAOB (0.49) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL6085763 0.86 TP53 (0.37) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL6086910 0.84 HSP90AA1 (0.39) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL6085153 0.84 MAOB (0.49)
SCHEMBL6085567 0.83 PTPN2 (0.42) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL6084914 0.83 RARA (0.32)

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
US-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 US claimed
US-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US disclosed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP disclosed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 US disclosed

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-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors MAP3K15, MAP3K20, MAP3K3 NPC1 4031/4885RAB9A 2584/4885SMN1; SMN2 831/4885

“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.