SCHEMBL10206572

SCHEMBL10206572

CC1(C)C(=O)Nc2cccc(CNc3nc(Cl)ncc3Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PDE2A O00408 1/20 0.36
▸ STK17B O94768 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ PRKCQ Q04759 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ TMIGD3 P0DMS9 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ JAK3 P52333 2/20 0.32

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
SCHEMBL10206581 0.89 CDK1 (0.39) CYP3A4CYP2C19HSD17B10PDE2AALDH1A1
SCHEMBL10206605 0.77 NTRK1 (0.61) NTRK1JAK3LCKJAK2
SCHEMBL14331595 0.77 STK17A (0.58) STK17APTK2NTRK1
SCHEMBL10205064 0.76 ALK (0.42) STK17APTK2NTRK1JAK3LCK
SCHEMBL10206145 0.75 NTRK1 (0.49) STK17APTK2NTRK1
SCHEMBL10206156 0.74 ALK (0.48) STK17APTK2NTRK1
SCHEMBL10206625 0.74 TNK2 (0.51) NTRK1JAK3JAK2JAK1TTK
SCHEMBL10206155 0.74 CCNK (0.49) STK17BSTK17AJAK3JAK2JAK1
SCHEMBL10205156 0.74 EGFR (0.47) STK17APTK2NTRK1JAK3LCK
SCHEMBL10206174 0.74 WEE1 (0.49) STK17BSTK17APTK2NTRK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655358-B1 OXINDOLOPYRIMIDINE AS IGF1R RECEPTOR INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 — — EP disclosed
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 CYP3A4 1176/4885CYP2C19 473/4885HSD17B10 1657/4885

“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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