SCHEMBL10275557

SCHEMBL10275557

Nc1ccc(C2=NC(=O)C3C(N2)C3c2ccc(F)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
KLKB1 P03952 2/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APP P05067 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KIT P10721 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL10313542 0.66 MAOB (0.38) ALDH1A1PDE3BPDE3A
SCHEMBL10275566 0.65 TAAR1 (0.34) TAAR1KLKB1HTR2A
SCHEMBL11545227 0.60 TAAR1 (0.50) TAAR1KLKB1KDM4EHSD17B10APP
SCHEMBL14665761 0.59 HTR2A (0.43) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL7556230 0.57 TAAR1 (0.50) TAAR1MAPTHSD17B10APPALDH1A1
SCHEMBL21057888 0.57 KDM1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL21057891 0.57 KDM1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL21103735 0.57 KDM1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL21104144 0.57 KDM1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL125516 0.56 ALDH1A1 (0.69) TAAR1KDM4EMAPTHSD17B10APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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 (1 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 TAAR1 488/4885KLKB1 4338/4885KDM4E 3483/4885

“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.