SCHEMBL10206581

SCHEMBL10206581

CC1(C)C(=O)Nc2cccc(CNc3nc(Cl)ncc3Br)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 3/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SRPK2 P78362 1/20 0.35
▸ SRPK1 Q96SB4 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTK2 Q05397 2/20 0.33
▸ PTK2B Q14289 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL10206572 0.89 CYP3A4 (0.38) CDK1CYP3A4CYP2C19HSD17B10PTK2
SCHEMBL10207050 0.76 TNK2 (0.54) CDK1PTK2PTK2BBTK
SCHEMBL15804245 0.75 CDK1 (0.40) CDK1MEN1KMT2ASRPK2SRPK1
SCHEMBL6213937 0.75 P2RX7 (0.43) CDK1MEN1KMT2ASRPK2SRPK1
SCHEMBL10207024 0.74 TNK2 (0.46) CDK1PTK2PTK2BNTRK1IGF1R
SCHEMBL10205525 0.74 EGFR (0.47) CDK1PTK2NTRK1IGF1R
SCHEMBL10205526 0.73 WEE1 (0.46) CDK1PTK2PTK2BNTRK1IGF1R
SCHEMBL10207022 0.73 EGFR (0.47) CDK1PTK2NTRK1IGF1R
SCHEMBL10207026 0.73 EGFR (0.45) CDK2
SCHEMBL6211850 0.72 KMT2A (0.42) CDK1MEN1KMT2ACYP2C19NTRK1

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 CDK1 21/4885MEN1 2106/4885KMT2A 3981/4885

“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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