SCHEMBL4428801

SCHEMBL4428801

CCN(c1cccc(N)c1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.41
ESR1 P03372 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HTT P42858 1/20 0.39
S1PR4 O95977 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2990883 0.87 LMNA (0.40) POLBLMNARECQLESR1CA12
SCHEMBL11441700 0.85 HSD17B10 (0.44) POLBLMNARECQLESR1CA12
SCHEMBL5623891 0.82 LMNA (0.40) POLBLMNARECQLCA12CA1
SCHEMBL13151164 0.81 POLB (0.45) POLBGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL1937572 0.81 LMNA (0.55) POLBLMNARECQLESR1HTT
SCHEMBL2696214 0.81 POLB (0.61) POLBLMNARECQLHTTGAA
Hydrochloric Acid SCHEMBL14861688 0.80 POLB (0.38) POLBLMNARECQLGAAALDH1A1
SCHEMBL28807357 0.79 ALDH1A1 (0.56) POLBLMNARECQLALDH1A1HSD17B10
SCHEMBL1937500 0.79 MAOA (0.47) POLBLMNARECQL
SCHEMBL8259437 0.79 ALDH1A1 (0.56) POLBLMNAGAAALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
US-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 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 (2 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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 POLB 915/4885LMNA 3297/4885RECQL 1146/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 POLB 803/4885LMNA 3616/4885RECQL 1041/4885

“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.