SCHEMBL10206632

SCHEMBL10206632

CC1(C)C(=O)Nc2cccc(CNc3nc(Nc4ccc(C5CCCN(CC(O)C(F)(F)F)C5)cc4)ncc3Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.41
▸ NTRK1 P04629 10/20 0.39
▸ ALK Q9UM73 2/20 0.38
▸ STK17A Q9UEE5 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ PTK2B Q14289 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ WEE1 P30291 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
SCHEMBL10206207 0.93 PTK2 (0.40) PTK2KDRFLT4TNK2PTK2B
SCHEMBL14331724 0.91 ALK (0.42) PTK2NTRK1ALKFLT4TNK2
SCHEMBL10205202 0.88 JAK3 (0.40) PTK2NTRK1STK17AKDRFLT4
SCHEMBL10205194 0.86 JAK3 (0.42) PTK2NTRK1ALKSTK17AKDR
SCHEMBL10205197 0.85 ALK (0.43) NTRK1ALKSTK17ATNK2JAK3
SCHEMBL10205516 0.84 ALK (0.37) PTK2ALKFLT4TNK2JAK3
SCHEMBL10206224 0.83 ALK (0.48) PTK2ALKFLT4
SCHEMBL14331681 0.81 STK17A (0.42) PTK2NTRK1STK17AKDRFLT4
SCHEMBL10206633 0.81 EGFR (0.46) NTRK1STK17AKDRFLT4TNK2
SCHEMBL10206145 0.81 NTRK1 (0.49) PTK2NTRK1STK17AKDRFLT4

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 3 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
WO-2012085126-A1 OXINDOLOPYRIMIDINE AS IGF1R RECEPTOR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — WO 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 PTK2 1524/4885NTRK1 2690/4885ALK 2575/4885

“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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