SCHEMBL4257002

SCHEMBL4257002

COc1ccc(CCNCCCn2nc3c(c2C(=O)OC(=O)C(F)(F)F)CCc2cnccc2-3)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NAMPT P43490 1/20 0.34
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
PLK1 P53350 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMPD1 P17405 1/20 0.31
TP53 P04637 1/20 0.31
ROCK2 O75116 3/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1658737 0.94 NAMPT (0.39) MEN1KMT2ANAMPTLMNAMAPT
Trifluoroacetic Acid SCHEMBL4256997 0.90 MEN1 (0.36) MEN1KMT2ANAMPTFPR3FPR2
SCHEMBL1655963 0.89 ROCK2 (0.39) MEN1KMT2ANAMPTPLK1LMNA
SCHEMBL1655854 0.89 AURKA (0.31) ROCK2
SCHEMBL4271422 0.88 ROCK2 (0.31) ROCK2
SCHEMBL4267643 0.87 HTT (0.32) ROCK2
SCHEMBL4270594 0.87 AURKA (0.31)
SCHEMBL4258492 0.87 TRPV1 (0.34) TP53ROCK2
SCHEMBL4262259 0.86 ROCK2 (0.36) ROCK2
SCHEMBL4258280 0.86 ROCK2 (0.31) ROCK2

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-9023787-B2 MAPKAP kinase-2 as a specific target for blocking proliferation of P53-defective MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-05 US disclosed
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-02-06 US disclosed
US-8440610-B2 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 US disclosed
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-08 US disclosed
US-20060115453-A1 Methods and compositions for treating cellular proliferative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-01 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 (4 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-20060115453-A1 Methods and compositions for treating cellular proliferative diseases MKI67, TP53, CCNC MEN1 673/4885KMT2A 3165/4885NAMPT 681/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 MEN1 2960/4885KMT2A 2527/4885NAMPT 825/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MEN1 1382/4885KMT2A 1257/4885NAMPT 658/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 MEN1 2960/4885KMT2A 2527/4885NAMPT 825/4885

“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.