SCHEMBL4257280

SCHEMBL4257280

O=C(OC(=O)C(F)(F)F)c1c2c(nn1CCCNCCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)-c1ccncc1CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.34
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ROCK2 O75116 2/20 0.32
KCNK3 O14649 1/20 0.32
TRPM2 O94759 1/20 0.32
CNR1 P21554 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TP53 P04637 1/20 0.31
FLT1 P17948 2/20 0.31
KDR P35968 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
AURKA O14965 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
PLK1 P53350 1/20 0.30
CCNA1 P78396 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 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
SCHEMBL1655956 0.97 ROCK2 (0.30) ROCK2
SCHEMBL4257197 0.94 TRPV1 (0.33) TRPV1
SCHEMBL4259042 0.94 HTR5A (0.33) ROCK2HDAC1AURKACCNA2CDK2
SCHEMBL4270594 0.94 AURKA (0.31) AURKACCNA2CDK2CCNA1
SCHEMBL4259036 0.94 KCNK3 (0.36) TRPV1ROCK2KCNK3CCNA2CDK2
SCHEMBL6792403 0.93 ROCK2 (0.35) ROCK2
SCHEMBL4267034 0.93 ROCK2 (0.32) ROCK2ADRB2ADRB1ADRB3
SCHEMBL4262275 0.93 FLT3 (0.35) FLT1KDRADRB2ADRB1ADRB3
SCHEMBL4271422 0.92 ROCK2 (0.31) TMEM97SIGMAR1ROCK2AURKACCNA2
SCHEMBL4262259 0.92 ROCK2 (0.36) ROCK2KCNK3TRPM8

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 8 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-20120252737-A1 Methods for Diagnosing and Treating Cancer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-04 US disclosed
US-20090181468-A1 Methods and compositions for treating cellular proliferative diseases YAFFE MICHAEL B 2009-07-16 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 TRPV1 4461/4885TMEM97 3313/4885SIGMAR1 4642/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 TRPV1 4623/4885TMEM97 2419/4885SIGMAR1 4780/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 TRPV1 1895/4885TMEM97 1682/4885SIGMAR1 4084/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 TRPV1 4623/4885TMEM97 2419/4885SIGMAR1 4780/4885

“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.