SCHEMBL10322823

SCHEMBL10322823

NCCC(Nc1cccc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)n1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.55
▸ DYRK1B Q9Y463 3/20 0.55
▸ FLT3 P36888 3/20 0.42
▸ MERTK Q12866 2/20 0.42
▸ MAPK1 P28482 1/20 0.39
▸ EIF2AK2 P19525 1/20 0.39
▸ AXL P30530 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ CASR P41180 1/20 0.36
▸ CCNT1 O60563 2/20 0.36
▸ ILK Q13418 1/20 0.36
▸ CDK9 P50750 1/20 0.36

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
SCHEMBL10323704 0.90 DYRK1A (0.68) DYRK1ADYRK1BFLT3MERTKEIF2AK2
SCHEMBL10324016 0.86 DYRK1A (0.55) DYRK1ADYRK1BMERTKMAPK1EIF2AK2
SCHEMBL10323094 0.84 DYRK1A (0.76) DYRK1ADYRK1BFLT3MERTKMAPK1
SCHEMBL10323677 0.83 LMNA (0.52) DYRK1ADYRK1BFLT3MERTKEIF2AK2
SCHEMBL11892634 0.78 FLT3 (0.43) FLT3MAPK1CCNT1CDK9
SCHEMBL10322853 0.78 FLT3 (0.50) DYRK1ADYRK1BFLT3MERTKMEN1
SCHEMBL10323703 0.78 CCNT1 (0.49) DYRK1ADYRK1BFLT3MAPK1EIF2AK2
SCHEMBL10353924 0.77 FLT3 (0.56) FLT3MERTKAXLTYRO3CCNT1
SCHEMBL10322937 0.77 FLT3 (0.56) FLT3MERTKAXLTYRO3CCNT1
SCHEMBL10321917 0.77 DYRK1A (0.64) DYRK1ADYRK1BFLT3EIF2AK2MEN1

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 7 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
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 DYRK1A 1060/4885DYRK1B 1036/4885FLT3 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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