SCHEMBL10323542

SCHEMBL10323542

NC1CCC(Nc2ncc3c(-c4cccc(NCc5ccccc5)n4)n[nH]c3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 17/20 0.62
▸ FLT3 P36888 2/20 0.54
▸ PIM1 P11309 1/20 0.46
▸ CDK1 P06493 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44

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
SCHEMBL10353321 1.00 CCNT1 (0.62) CCNT1FLT3PIM1CDK1CDK4
SCHEMBL10323459 0.89 CCNT1 (0.56) CCNT1FLT3PIM1
SCHEMBL10353659 0.89 CCNT1 (0.56) CCNT1FLT3PIM1
SCHEMBL10353744 0.88 MAPK8 (0.52) CCNT1FLT3PIM1CDK1CDK4
SCHEMBL10323153 0.88 MAPK8 (0.52) CCNT1FLT3PIM1CDK1CDK4
SCHEMBL10353613 0.83 MERTK (0.47) CCNT1FLT3CDK1CDK4CCNB1
SCHEMBL10324055 0.83 MERTK (0.47) CCNT1FLT3CDK1CDK4CCNB1
SCHEMBL10353076 0.83 FLT3 (0.48) CCNT1FLT3PIM1
SCHEMBL10322609 0.83 FLT3 (0.48) CCNT1FLT3PIM1
SCHEMBL10353924 0.82 FLT3 (0.56) CCNT1FLT3PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US claimed
WO-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO claimed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — US claimed
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US disclosed
WO-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — 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-20120184508-A1 PYRAZOLO PYRIMIDINES TYMS, TYMP, TP53 CCNT1 182/4885FLT3 1618/4885PIM1 2985/4885

“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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