SCHEMBL2117185

SCHEMBL2117185

Cn1c(C(F)(F)F)nc2ccc(I)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.38
ACSS2 Q9NR19 8/20 0.38
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 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
SCHEMBL5987629 0.81 ACSS2 (0.49) CHRM4ACSS2MAPK1KDM4EALDH1A1
SCHEMBL28066063 0.80 ALDH1A1 (0.36) MAPK1KDM4EALDH1A1HPGD
SCHEMBL2119107 0.80 CHRM4 (0.38) CHRM4ACSS2MAPK1KDM4EALDH1A1
SCHEMBL15110814 0.80 MEN1 (0.44) CHRM4ACSS2MAPK1ALDH1A1
SCHEMBL2117179 0.80 KDM4E (0.44) CHRM4ACSS2KDM4EALDH1A1TPSAB1
SCHEMBL17378563 0.80 RAB9A (0.45) CHRM4ACSS2KDM4EALDH1A1HPGD
SCHEMBL2118876 0.79 ALDH1A1 (0.43) CHRM4ACSS2MAPK1KDM4EALDH1A1
SCHEMBL10187684 0.78 ACSS2 (0.52) CHRM4ACSS2MAPK1KDM4EALDH1A1
SCHEMBL15000594 0.76 ACSS2 (0.40) CHRM4ACSS2
SCHEMBL4245796 0.76 ACSS2 (0.47) ACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-12-05 US disclosed
US-8455507-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455507-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455507-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-19 US disclosed
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-19 US disclosed
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-19 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-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CHRM4 4805/4885ACSS2 1112/4885MAPK1 672/4885
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CHRM4 4805/4885ACSS2 1112/4885MAPK1 672/4885

“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.