SCHEMBL2941802

SCHEMBL2941802

Nc1ncc(N2CCCCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
THRB P10828 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIK3CA P42336 1/20 0.47
S100B P04271 2/20 0.42

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
SCHEMBL1332322 0.81 PIK3CA (0.53) MAPTPOLBTHRBMEN1ALDH1A1
SCHEMBL16892077 0.78 CHRNB2 (0.55) ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL2949706 0.78 PIK3CA (0.57) MAPTPOLBGAAKDM4EPIK3CA
SCHEMBL16892046 0.78 HRH4 (0.58) MAPTPOLBTHRBMEN1ALDH1A1
SCHEMBL27493510 0.77 MAPT (0.44) MAPTPOLBTHRBMEN1ALDH1A1
SCHEMBL9881482 0.77 MAPT (0.44) MAPTPOLBTHRBMEN1ALDH1A1
SCHEMBL9531870 0.77 CHRNB2 (0.46) MAPTPOLBTHRBMEN1ALDH1A1
SCHEMBL29353249 0.77 MAPT (0.53) MAPTPOLBTHRBMEN1ALDH1A1
SCHEMBL823334 0.77 MAPT (0.53) MAPTPOLBTHRBMEN1ALDH1A1
SCHEMBL20089094 0.75 S100B (0.50) MAPTPOLBTHRBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US disclosed
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-01-04 US disclosed
US-7750019-B2 Pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same KOWA COMPANY, LTD. (JP) 2010-07-06 US disclosed
EP-2055703-A1 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(PYRIDYLMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL COMPRISING THE COMPOUND Kowa Company. Ltd. (JP) 2009-05-06 EP disclosed
US-20090054474-A1 Novel pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same KOWA COMPANY, LTD. (JP) 2009-02-26 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 (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-20090054474-A1 Novel pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same CETP, TYMP, MTTP MAPT 4462/4885POLB 369/4885THRB 213/4885
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF CDK4, CDK6, CDK3 MAPT 1491/4885POLB 1127/4885THRB 3551/4885

“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.