SCHEMBL12788841

SCHEMBL12788841

Cc1cc(CCN2CCCCC2)ncc1Nc1ncc(-c2ccc(OC(F)F)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.39
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ HTR3A P46098 2/20 0.35
▸ HRH3 Q9Y5N1 5/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL12443595 0.86 CNR2 (0.39) DYRK1AHRH3PIK3CAPRKDCCNR2
SCHEMBL12789186 0.86 CYP1A2 (0.42) AXLCYP1A2CYP2D6HRH3CCNB2
SCHEMBL12788837 0.83 CYP1A2 (0.41) AXLWNT1GSK3BDYRK1ACYP1A2
SCHEMBL12788847 0.80 MELK (0.43) AXLWNT1GSK3BDYRK1AHTR3A
SCHEMBL12788849 0.77 BRAF (0.41) AXLWNT1GSK3BDYRK1ACYP1A2
SCHEMBL12788855 0.75 HRH3 (0.44) AXLWNT1GSK3BDYRK1AHRH3
SCHEMBL13472160 0.71 ACP1 (0.47) WNT1GSK3BDYRK1ACYP2D6HRH3
SCHEMBL12789184 0.70 CYP1A2 (0.49) AXLCYP1A2CYP2D6HRH3IGF1R
SCHEMBL12443126 0.70 EGFR (0.39) GSK3BDYRK1AHRH3IGF1RCNR2
SCHEMBL3654033 0.69 EGFR (0.39) DYRK1AIGF1RCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288540-B2 2-heteroarylamino-pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2012-10-16 — — US disclosed
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — 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-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS FYN, LCK, ERBB2 AXL 78/4885WNT1 2096/4885GSK3B 535/4885

“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.

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