SCHEMBL1807866

SCHEMBL1807866

Cc1cc(-c2cc(C)c(N)cc2C)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.35
UHRF1 Q96T88 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
TERT O14746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
CD44 P16070 1/20 0.33
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 2/20 0.32
USP2 O75604 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL27883367 0.74 ADORA3 (0.60) TSHRALDH1A1SMN1; SMN2ADORA3HSD17B10
SCHEMBL1225407 0.73 TSHR (0.48) TSHRCYP3A4ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15374805 0.72 SMN1; SMN2 (0.37) TSHRCYP3A4MAPK1ALDH1A1SMN1; SMN2
SCHEMBL3101719 0.72 CYP3A4 (0.67) TSHRCYP3A4MAPK1ALDH1A1UHRF1
SCHEMBL21262766 0.72 MEN1 (0.50) TSHRALDH1A1SMN1; SMN2ALOX15USP2
SCHEMBL1804335 0.71 KMT2A (0.40) TSHRCYP3A4MAPK1ALDH1A1SMN1; SMN2
SCHEMBL15661004 0.70 GAA (0.45) MAPK1ALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL1528662 0.70 IDO1 (0.51) TSHRCYP3A4MAPK1ALDH1A1SMN1; SMN2
SCHEMBL21262770 0.69 RAB9A (0.60) TSHRALDH1A1SMN1; SMN2ADORA3HSD17B10
SCHEMBL14829440 0.69 KMT2A (0.43) ALDH1A1UHRF1SMN1; SMN2USP2MAPT

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-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
EP-2331526-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-06-15 EP disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
WO-2009158431-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-12-30 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 (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-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK TSHR 2020/4885CYP3A4 3631/4885MAPK1 325/4885

“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.