SCHEMBL2621753

SCHEMBL2621753

N[C@H]1CC[C@H](Nc2cnc3ccc(Br)cc3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.55
▸ PDGFRB P09619 8/20 0.45
▸ PDGFRA P16234 8/20 0.45
▸ EGFR P00533 1/20 0.45
▸ INSR P06213 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ CDK9 P50750 1/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ MELK Q14680 3/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL2621752 1.00 IRAK4 (0.55) IRAK4PDGFRBPDGFRAEGFRINSR
SCHEMBL2621762 0.92 IRAK4 (0.47) IRAK4PDGFRBPDGFRAEGFRINSR
SCHEMBL2621758 0.86 PDGFRB (0.61) IRAK4PDGFRBPDGFRAEGFRINSR
SCHEMBL2621748 0.86 PDGFRB (0.59) IRAK4PDGFRBPDGFRAEGFRINSR
SCHEMBL2621749 0.84 PDGFRB (0.45) IRAK4PDGFRBPDGFRAEGFRINSR
SCHEMBL2621761 0.83 IRAK4 (0.58) IRAK4PDGFRBPDGFRAEGFRINSR
SCHEMBL30399892 0.82 PDGFRB (0.46) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621741 0.82 PDGFRB (0.46) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621745 0.81 IRAK4 (0.47) IRAK4PDGFRBPDGFRAEGFRINSR
SCHEMBL2621744 0.79 PDGFRB (0.43) PDGFRBPDGFRAEGFRINSRLCK

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
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — 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-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 IRAK4 3826/4885PDGFRB 633/4885PDGFRA 1307/4885

“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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