SCHEMBL10324055

SCHEMBL10324055

NC1CCC(Nc2ncc3c(-c4cccc(NCc5ccccc5)c4)n[nH]c3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 9/20 0.47
▸ CDK2 P24941 6/20 0.47
▸ CCNA2 P20248 5/20 0.47
▸ CCNE2 O96020 5/20 0.47
▸ CCNE1 P24864 5/20 0.47
▸ CCNA1 P78396 4/20 0.47
▸ CCNT1 O60563 3/20 0.47
▸ CDK1 P06493 3/20 0.47
▸ AXL P30530 2/20 0.47
▸ TYRO3 Q06418 2/20 0.47
▸ CDK4 P11802 2/20 0.47
▸ CCNB1 P14635 2/20 0.47
▸ CCND1 P24385 2/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.45
▸ CCNB2 O95067 1/20 0.43
▸ FLT3 P36888 1/20 0.43

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
SCHEMBL10353613 1.00 MERTK (0.47) MERTKCDK2CCNA2CCNE2CCNE1
SCHEMBL10322858 0.92 CCNT1 (0.47) MERTKCDK2CCNA2CCNE2CCNE1
SCHEMBL10353042 0.92 CCNT1 (0.47) MERTKCDK2CCNA2CCNE2CCNE1
SCHEMBL10353580 0.89 CDK2 (0.41) MERTKCDK2CCNA2CCNE2CCNE1
SCHEMBL10323069 0.89 CCNT1 (0.44) MERTKCDK2CCNA2CCNE2CCNE1
SCHEMBL10353467 0.89 CCNT1 (0.44) MERTKCDK2CCNA2CCNE2CCNE1
SCHEMBL10322577 0.89 CDK2 (0.41) MERTKCDK2CCNA2CCNE2CCNE1
SCHEMBL10323278 0.87 FLT3 (0.42) MERTKCDK2CCNA2CCNE2CCNE1
SCHEMBL10354223 0.87 FLT3 (0.42) MERTKCDK2CCNA2CCNE2CCNE1
SCHEMBL10353321 0.83 CCNT1 (0.62) CDK2CCNA2CCNT1CDK1CDK4

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 5 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
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 MERTK 2006/4885CDK2 16/4885CCNA2 265/4885

“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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