SCHEMBL18527529

SCHEMBL18527529

CC(O)CN1CCN(c2ccc(Nc3ncc4cccc(-c5cccc(C=CC(N)=O)c5)c4n3)c(F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.57
KDR P35968 3/20 0.57
FGFR2 P21802 3/20 0.57
TTK P33981 3/20 0.44
EGFR P00533 2/20 0.42
ALK Q9UM73 6/20 0.41
INSR P06213 4/20 0.41
NPM1 P06748 4/20 0.41
JAK2 O60674 3/20 0.39
BRD4 O60885 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK6 Q00534 1/20 0.39
KCNH2 Q12809 1/20 0.39
JAK3 P52333 2/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PTK2 Q05397 1/20 0.37

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
SCHEMBL16514346 0.90 FGFR1 (0.71) FGFR1KDRFGFR2TTKEGFR
SCHEMBL18527557 0.90 FGFR1 (0.63) FGFR1KDRFGFR2TTKEGFR
SCHEMBL18527542 0.88 EGFR (0.51) FGFR1KDRFGFR2EGFRALK
SCHEMBL18527541 0.88 EGFR (0.51) FGFR1KDRFGFR2EGFRALK
SCHEMBL18527536 0.88 EGFR (0.51) FGFR1KDRFGFR2EGFRALK
SCHEMBL18527556 0.84 EGFR (0.51) FGFR1KDRFGFR2EGFRJAK2
SCHEMBL16515356 0.84 FGFR1 (0.81) FGFR1KDRFGFR2EGFRJAK3
SCHEMBL18527548 0.82 EGFR (0.49) FGFR1KDRFGFR2EGFRJAK2
SCHEMBL16513954 0.82 FGFR1 (0.68) FGFR1KDRFGFR2TTKEGFR
SCHEMBL18527553 0.82 FGFR1 (0.53) FGFR1KDRFGFR2TTKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-02-23 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-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CDK2, MAP3K6, MAP3K2 FGFR1 519/4885KDR 720/4885FGFR2 540/4885

“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.