SCHEMBL10322814

SCHEMBL10322814

Clc1cccc(CNc2nccc(-c3n[nH]c4nc(NC5CCNCC5)ncc34)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.50
▸ IKBKB O14920 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ MAPK8 P45983 3/20 0.44
▸ MAPK9 P45984 2/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.43
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ MAPK3 P27361 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ CDK9 P50750 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL10353168 0.91 CCNT1 (0.51) CCNT1ACHEBACE1MAPK8MAPK9
SCHEMBL10323485 0.91 CCNT1 (0.51) CCNT1ACHEBACE1MAPK8MAPK9
SCHEMBL10353673 0.91 CCNT1 (0.51) CCNT1ACHEBACE1MAPK8MAPK9
SCHEMBL10323183 0.90 PRKCQ (0.44) CCNT1ACHEBACE1RPS6KB1CDK2
SCHEMBL10323180 0.84 CCNT1 (0.41) CCNT1IKBKBACHEBACE1RPS6KB1
SCHEMBL10353785 0.83 ACHE (0.43) CCNT1ACHEBACE1MAPK8MAPK9
SCHEMBL10353820 0.83 ACHE (0.43) CCNT1ACHEBACE1MAPK8MAPK9
SCHEMBL10322915 0.83 ACHE (0.43) CCNT1ACHEBACE1MAPK8MAPK9
SCHEMBL10323194 0.83 FLT3 (0.50) CCNT1ACHEBACE1RPS6KB1CDK9
SCHEMBL10323037 0.82 CCNT1 (0.49) CCNT1ACHEBACE1MAPK8MAPK9

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 8 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
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
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
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
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 182/4885IKBKB 972/4885ACHE 595/4885

“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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