SCHEMBL10322937

SCHEMBL10322937

NCCC(Nc1cccc(-c2n[nH]c3nc(NC4CCC(N)CC4)ncc23)n1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.56
▸ CCNT1 O60563 6/20 0.44
▸ PIM1 P11309 5/20 0.42
▸ MERTK Q12866 4/20 0.41
▸ AXL P30530 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ MAPK10 P53779 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
SCHEMBL10353924 1.00 FLT3 (0.56) FLT3CCNT1PIM1MERTKAXL
SCHEMBL10322609 0.93 FLT3 (0.48) FLT3CCNT1PIM1MERTKAXL
SCHEMBL10353076 0.93 FLT3 (0.48) FLT3CCNT1PIM1MERTKAXL
SCHEMBL10323191 0.89 MAPK8 (0.47) FLT3CCNT1PIM1MERTKAXL
SCHEMBL10353707 0.89 MAPK8 (0.47) FLT3CCNT1PIM1MERTKAXL
SCHEMBL10323202 0.85 FLT3 (0.45) FLT3CCNT1PIM1MERTKAXL
SCHEMBL10353166 0.85 FLT3 (0.45) FLT3CCNT1PIM1MERTKAXL
SCHEMBL10353724 0.82 MAPK8 (0.48) FLT3CCNT1PIM1MERTKAXL
SCHEMBL10323145 0.82 MAPK8 (0.48) FLT3CCNT1PIM1MERTKAXL
SCHEMBL10323942 0.82 FLT3 (0.44) FLT3CCNT1PIM1MAPK8MAPK9

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 FLT3 1618/4885CCNT1 182/4885PIM1 2985/4885

“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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