SCHEMBL3464970

SCHEMBL3464970

C=CC[CH]c1ccnc(Br)c1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ TRIM24 O15164 1/20 0.31
▸ TRIM33 Q9UPN9 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3465569 0.84 CCNC (0.33) CCNCCDK8TRIM24TRIM33NTRK1
SCHEMBL3466161 0.79 MYC (0.31) CCNCCDK8
SCHEMBL13358870 0.75 HSD11B1 (0.35) KDM4E
SCHEMBL3465357 0.74 NTRK1 (0.34) CCNCCDK8TRIM24TRIM33NTRK1
SCHEMBL3464426 0.73 NTRK1 (0.36) CCNCCDK8TRIM24TRIM33NTRK1
SCHEMBL4491546 0.71 NTRK1 (0.37) CCNCCDK8NTRK1PIM1ACVR1
SCHEMBL28176465 0.68 SIRT3 (0.43) CCNCCDK8NTRK1PIM1ACVR1
SCHEMBL4767580 0.68 PIM1 (0.37) CCNCCDK8CDC7NTRK1PIM1
SCHEMBL13358890 0.66 NFKB1 (0.40) KDM4E
SCHEMBL3466933 0.66 ADORA3 (0.37) KDM4E

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-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 — — EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 — — US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 — — US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CCNC 2362/4885CDK8 691/4885CDC7 542/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCNC 1393/4885CDK8 505/4885CDC7 1991/4885

“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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