SCHEMBL10081608

SCHEMBL10081608

COCCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.62
ILK Q13418 1/20 0.59
KDM1A O60341 1/20 0.56
KDR P35968 5/20 0.56
FLT1 P17948 2/20 0.56
RET P07949 2/20 0.54
KIF5B P33176 2/20 0.54
ERBB2 P04626 3/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
FLT4 P35916 2/20 0.53

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
SCHEMBL6994526 0.89 EGFR (0.69) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL10080593 0.89 FBP1 (0.65) EGFRKDRRETKIF5BERBB2
SCHEMBL12846249 0.88 EGFR (0.64) EGFRKDRFLT1RETKIF5B
SCHEMBL18176217 0.86 EGFR (0.62) EGFRILKKDM1AKDRERBB2
SCHEMBL17538489 0.84 EGFR (0.68) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL9911558 0.84 EGFR (0.61) EGFRKDRFLT1ERBB2HDAC3
Hydrochloric Acid SCHEMBL18979162 0.83 EGFR (0.67) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL25707230 0.82 RET (0.68) EGFRKDRRETKIF5BERBB2
SCHEMBL8213639 0.81 HDAC3 (0.77) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL25735856 0.81 RET (0.55) EGFRKDRRETKIF5BERBB2

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-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 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-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF CSNK1G3, CSNK1A1, CSNK1A1L EGFR 3299/4885ILK 3598/4885KDM1A 4208/4885

“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.