SCHEMBL14331737

SCHEMBL14331737

Cc1cc(C2CCN(CC#N)CC2)ccc1Nc1ncc(Cl)c(NCc2cccc3c2C(C)(C)C(=O)N3)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.40
▸ ALK Q9UM73 5/20 0.38
▸ INSR P06213 2/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ FLT4 P35916 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MAPK3 P27361 1/20 0.36
▸ MET P08581 1/20 0.36
▸ TNK2 Q07912 2/20 0.36
▸ JAK3 P52333 3/20 0.35
▸ BTK Q06187 2/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TXK P42681 1/20 0.35
▸ BLK P51451 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ SRC P12931 1/20 0.35

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
SCHEMBL14331632 0.92 EGFR (0.49) EGFRALKINSRIGF1RMET
SCHEMBL10207086 0.91 EGFR (0.41) EGFRALKINSRIGF1RFLT4
SCHEMBL10205209 0.90 ALK (0.47) EGFRALKINSRIGF1RFLT4
SCHEMBL10205190 0.90 EGFR (0.51) EGFRALKINSRIGF1RFLT4
SCHEMBL16255604 0.89 FLT4 (0.41) EGFRALKINSRIGF1RFLT4
SCHEMBL10205181 0.88 EGFR (0.45) EGFRALKINSRIGF1RMET
SCHEMBL10205180 0.88 EGFR (0.41) EGFRALKINSRIGF1RFLT4
SCHEMBL10205935 0.88 ALK (0.45) EGFRALKINSRFLT4PTK2
SCHEMBL10205192 0.88 EGFR (0.42) EGFRALKINSRIGF1RFLT4
SCHEMBL14331739 0.88 EGFR (0.46) EGFRALKINSRIGF1RFLT4

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-8546443-B2 Benzylic oxindole pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 — — US disclosed
US-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 — — 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-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES MKI67, CCNI, CCNB1 EGFR 1397/4885ALK 2575/4885INSR 1352/4885

“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.

Send feedback