SCHEMBL10323677

SCHEMBL10323677

c1ccc(CNc2cccc(-c3n[nH]c4nc(NCCN5CCOCC5)ncc34)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ CCNT1 O60563 4/20 0.49
▸ FLT3 P36888 2/20 0.48
▸ DYRK1A Q13627 2/20 0.46
▸ DYRK1B Q9Y463 2/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ EIF2AK2 P19525 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ CDK9 P50750 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ HIF1A Q16665 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
SCHEMBL10323703 0.92 CCNT1 (0.49) LMNACCNT1FLT3DYRK1ADYRK1B
SCHEMBL10322654 0.91 HRH3 (0.42) LMNACCNT1FLT3ACHECDK9
SCHEMBL10322178 0.91 CCNT1 (0.54) LMNACCNT1FLT3DYRK1ADYRK1B
SCHEMBL10323641 0.89 FLT3 (0.58) LMNAFLT3DYRK1ADYRK1BCXCR4
SCHEMBL10322363 0.89 CCNT1 (0.45) LMNACCNT1FLT3DYRK1ADYRK1B
SCHEMBL10322853 0.89 FLT3 (0.50) LMNACCNT1FLT3DYRK1ADYRK1B
SCHEMBL10323248 0.84 LMNA (0.52) LMNAFLT3DYRK1ADYRK1BEIF2AK2
SCHEMBL10322823 0.83 DYRK1A (0.55) LMNACCNT1FLT3DYRK1ADYRK1B
SCHEMBL10322579 0.81 FLT3 (0.61) LMNACCNT1FLT3DYRK1ADYRK1B
SCHEMBL10323187 0.81 EIF2AK2 (0.53) LMNAFLT3DYRK1ADYRK1BCXCR4

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 LMNA 1710/4885CCNT1 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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