SCHEMBL4267057

SCHEMBL4267057

O=C1NCCCn2nc3c(c21)CCc1cnc(-c2cccnc2)nc1-3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.37
PIM1 P11309 5/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
GBA1 P04062 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL6793878 0.91 MAPKAPK2 (0.41) MAPKAPK2
Hydrochloric Acid SCHEMBL4255905 0.88 MAPKAPK2 (0.40) MAPKAPK2CYP3A4
SCHEMBL4255920 0.84 CSNK1A1 (0.45) MAPKAPK2PIM1ALDH1A1MAPTCLK4
SCHEMBL4258589 0.83 MAPKAPK2 (0.57) MAPKAPK2
SCHEMBL4259022 0.81 TMEM97 (0.39) MAPKAPK2ALDH1A1MAPTKDM4EMEN1
SCHEMBL4160344 0.79 KDM4E (0.36) MAPKAPK2ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13852037 0.79 SIGMAR1 (0.33) MAPKAPK2
SCHEMBL4150539 0.79 CDK2 (0.51)
SCHEMBL4260865 0.76 MAPKAPK2 (0.41) MAPKAPK2PARP10PARP11
SCHEMBL4260846 0.75 SIGMAR1 (0.36) PARP10PARP11

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 MAPKAPK2 1486/4885PIM1 2688/4885ALDH1A1 1762/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885PIM1 838/4885ALDH1A1 3467/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885PIM1 633/4885ALDH1A1 4449/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885PIM1 838/4885ALDH1A1 3467/4885

“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.