SCHEMBL546002

SCHEMBL546002

Cc1cc(N)ccc1NC(=O)Nc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.66
DDX3X O00571 3/20 0.63
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
RAB9A P51151 7/20 0.56
MAPT P10636 6/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
GBA1 P04062 1/20 0.53
POLB P06746 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 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
SCHEMBL27864008 0.86 SMN1; SMN2 (0.63) TRPV1DDX3XKMT2AMEN1RAB9A
SCHEMBL21751042 0.85 MEN1 (0.62) TRPV1DDX3XKMT2AMEN1RAB9A
SCHEMBL6376793 0.83 MEN1 (0.60) TRPV1DDX3XKMT2AMEN1RAB9A
SCHEMBL27877501 0.82 DDX3X (0.79) DDX3XKMT2AMEN1RAB9AMAPT
SCHEMBL14402886 0.82 MAPT (0.65) DDX3XKMT2AMEN1RAB9AMAPT
SCHEMBL27877497 0.81 DDX3X (0.71) TRPV1DDX3XKMT2AMEN1RAB9A
SCHEMBL28156202 0.81 MTOR (0.68) DDX3XKMT2AMEN1RAB9AMAPT
SCHEMBL546131 0.80 TRPV1 (1.00) TRPV1DDX3XKMT2AMEN1RAB9A
Urea SCHEMBL2155975 0.79 TRPV1 (0.93) TRPV1DDX3XKMT2AMEN1RAB9A
SCHEMBL30851500 0.79 RAB9A (0.79) KMT2AMEN1RAB9AMAPTNPC1

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-2170834-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP disclosed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 US disclosed
CN-101754955-A Indazole, benzisoxazole and benzisothiazole compounds as protein kinase inhibitors ABBOTT LAB 2010-06-23 CN disclosed
EP-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP disclosed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 WO 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-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 TRPV1 4714/4885DDX3X 1508/4885KMT2A 1632/4885

“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.