SCHEMBL10353659

SCHEMBL10353659

N[C@H]1CC[C@H](Nc2ncc3c(-c4cccc(NCc5ccsc5)n4)n[nH]c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 15/20 0.56
▸ PIM1 P11309 1/20 0.43
▸ FLT3 P36888 4/20 0.42

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
SCHEMBL10323459 1.00 CCNT1 (0.56) CCNT1PIM1FLT3
SCHEMBL10353321 0.89 CCNT1 (0.62) CCNT1PIM1FLT3
SCHEMBL10323542 0.89 CCNT1 (0.62) CCNT1PIM1FLT3
SCHEMBL10323441 0.88 MAPK8 (0.44) CCNT1PIM1FLT3
SCHEMBL10353468 0.88 MAPK8 (0.44) CCNT1PIM1FLT3
SCHEMBL10353580 0.85 CDK2 (0.41) CCNT1
SCHEMBL10322577 0.85 CDK2 (0.41) CCNT1
SCHEMBL11892621 0.81 PIM1 (0.40) CCNT1PIM1
SCHEMBL10353744 0.77 MAPK8 (0.52) CCNT1PIM1FLT3
SCHEMBL10323153 0.77 MAPK8 (0.52) CCNT1PIM1FLT3

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 3 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 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 182/4885PIM1 2985/4885FLT3 1618/4885

“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.

Send feedback