SCHEMBL10322654

SCHEMBL10322654

c1ccc(CNc2cccc(-c3n[nH]c4nc(NCCN5CCCCC5)ncc34)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CCNT1 O60563 6/20 0.42
▸ FLT3 P36888 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CDK9 P50750 3/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ ACHE P22303 4/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38

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
SCHEMBL10323677 0.91 LMNA (0.52) CCNT1FLT3LMNACDK9ACHE
SCHEMBL10323703 0.84 CCNT1 (0.49) CCNT1FLT3LMNACDK9
SCHEMBL10322178 0.82 CCNT1 (0.54) CCNT1FLT3LMNACDK9
SCHEMBL10354002 0.81 FLT3 (0.51) HRH3CCNT1FLT3CDK9ACHE
SCHEMBL10322363 0.81 CCNT1 (0.45) CCNT1FLT3LMNACDK9
SCHEMBL10322853 0.81 FLT3 (0.50) CCNT1FLT3LMNACDK9
SCHEMBL10323641 0.80 FLT3 (0.58) FLT3LMNA
SCHEMBL10322415 0.80 FLT3 (0.51) CCNT1FLT3CDK9ACHE
SCHEMBL10324360 0.77 MERTK (0.41) HRH3CCNT1FLT3SIGMAR1
SCHEMBL11892641 0.76 FYN (0.42) CCNT1FLT3LMNACDK9

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 9 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
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 HRH3 4196/4885CCNT1 182/4885FLT3 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.

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