SCHEMBL20064692

SCHEMBL20064692

CC(C)(C)OC(=O)Nc1ccc(-c2cc(N)n[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.57
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
MITF O75030 1/20 0.52
TP53 P04637 1/20 0.52
MAP4K4 O95819 1/20 0.52
CYP17A1 P05093 2/20 0.49
DYRK1A Q13627 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PSMB8 P28062 1/20 0.47
TNIK Q9UKE5 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
CDK1 P06493 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL20064687 0.83 CA12 (0.44) KDRMAP4K4CYP17A1TNIKCDK1
SCHEMBL20064693 0.82 KDR (0.43) KDRMAP4K4CYP17A1PSMB8TNIK
SCHEMBL17279948 0.81 RAF1 (0.51) TP53MAP4K4CYP17A1PSMB8CDK1
SCHEMBL23268987 0.81 RAB9A (0.52) KDRMAP4K4CYP17A1PSMB8CDK1
SCHEMBL20073910 0.79 KDR (0.49) KDRALDH1A1KMT2AMITFTP53
SCHEMBL22420952 0.77 BRD4 (0.43) KMT2AMAP4K4CYP17A1PSMB8TNIK
SCHEMBL14342618 0.77 CYP17A1 (0.42) MAP4K4CYP17A1PSMB8CDK1NPC1
SCHEMBL20865536 0.77 CYP17A1 (0.68) MAP4K4CYP17A1SMN1; SMN2PSMB8HDAC3
SCHEMBL4699047 0.76 MAP4K4 (0.39) ALDH1A1MAP4K4CYP17A1CDK1GFER
SCHEMBL3785153 0.76 CYP17A1 (0.59) KMT2AMAP4K4CYP17A1SMN1; SMN2PSMB8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KDR 850/4885ALDH1A1 3193/4885KMT2A 4144/4885

“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.