SCHEMBL3579680

SCHEMBL3579680

Cc1cc(Nc2cc(N)ccc2C)n(-c2cc(NCCN3CCOCC3)ncn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.51
TSHR P16473 3/20 0.51
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 6/20 0.46
CLK4 Q9HAZ1 2/20 0.46
HSD17B10 Q99714 4/20 0.44
ALOX15 P16050 2/20 0.44
CYP2C19 P33261 2/20 0.44
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
CYP2D6 P10635 2/20 0.42
EGFR P00533 5/20 0.42
LCK P06239 3/20 0.41
MAPK14 Q16539 1/20 0.40
CHRM1 P11229 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL3579677 0.88 CYP1A2 (0.47) CYP1A2TSHRCYP3A4ALDH1A1CLK4
SCHEMBL3584350 0.82 LCK (0.41) ALDH1A1LCKLMNA
SCHEMBL1825921 0.82 CYP1A2 (0.50) CYP1A2TSHRCYP3A4ALDH1A1CLK4
SCHEMBL3586792 0.81 MAPK14 (0.53) CYP1A2TSHRCYP3A4LCKMAPK14
SCHEMBL9967441 0.80 MAPK14 (0.54) CYP1A2TSHRCYP3A4LCKMAPK14
SCHEMBL3590168 0.80 BRAF (0.36) CYP1A2TSHRCYP3A4ALDH1A1LCK
SCHEMBL9967440 0.80 MAPK14 (0.54) LCKMAPK14
SCHEMBL3585106 0.80 BRAF (0.55) ABL1BCRLCKMAPK14
SCHEMBL3589742 0.80 BRAF (0.56) ALDH1A1LCKMAPK14GAASMN1; SMN2
SCHEMBL3589946 0.79 MAPK14 (0.53) EGFRLCKMAPK14

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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK CYP1A2 4008/4885TSHR 2134/4885CYP3A4 4756/4885

“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.