SCHEMBL1655472

SCHEMBL1655472

CCCCOc1ccc(NC(=O)NCCCn2nc3c(c2C(=O)O)CCc2cnccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 5/20 0.42
HTT P42858 2/20 0.42
STAT3 P40763 1/20 0.39
NAMPT P43490 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.38
ROCK2 O75116 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL1655178 0.91 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNAMPTMAPK1GAA
Trifluoroacetic Acid SCHEMBL1655632 0.83 LMNA (0.38) SMN1; SMN2LMNAHTTMAPK1GAA
Trifluoroacetic Acid SCHEMBL6792947 0.83 CYP1A2 (0.38) NAMPTMAPK1HPGDKMT2A
Trifluoroacetic Acid SCHEMBL6792940 0.81 PTGES (0.39) SMN1; SMN2LMNAHTTTP53HPGD
SCHEMBL6792495 0.79 LMNA (0.40) SMN1; SMN2LMNAHTTSTAT3MAPK1
Hydrochloric Acid SCHEMBL4263501 0.79 CYP3A4 (0.34) SMN1; SMN2HTTNAMPTMAPK1ROCK2
SCHEMBL6792362 0.79 FES (0.42) SMN1; SMN2NAMPTROCK2EPHX2
SCHEMBL6793287 0.78 ROCK2 (0.36) NAMPTROCK2
Trifluoroacetic Acid SCHEMBL1655186 0.77 KDM4C (0.34) NAMPTHPGD
SCHEMBL6792951 0.76 CYP1A2 (0.37) NAMPTMAPK1HPGD

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 11 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
WO-2011041784-A1 METHODS FOR DIAGNOSING AND TREATING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-04-07 WO 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
EP-1824498-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-08-29 EP 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
WO-2006053315-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-05-18 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 (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 SMN1; SMN2 1594/4885LMNA 142/4885MAPT 1772/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 SMN1; SMN2 2369/4885LMNA 2332/4885MAPT 1844/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 SMN1; SMN2 4333/4885LMNA 4286/4885MAPT 3143/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 SMN1; SMN2 2369/4885LMNA 2332/4885MAPT 1844/4885

“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.