SCHEMBL10322923

SCHEMBL10322923

Clc1ccccc1CNc1cccc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ MAPK8 P45983 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ EGFR P00533 2/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL10323248 0.89 LMNA (0.52) FLT3LMNAMERTKMEN1KMT2A
SCHEMBL10322219 0.89 LMNA (0.47) FLT3LMNAMAPK8ALDH1A1MERTK
SCHEMBL10322853 0.85 FLT3 (0.50) FLT3LMNAMAPK8ALDH1A1MERTK
SCHEMBL10323345 0.85 FLT3 (0.59) FLT3LMNAALDH1A1MEN1KMT2A
SCHEMBL10323024 0.85 ALDH1A1 (0.44) LMNAALDH1A1MERTKMEN1KMT2A
SCHEMBL10324298 0.84 EGFR (0.41) LMNAMAPK8ALDH1A1MERTKMEN1
SCHEMBL10321666 0.80 MERTK (0.49) FLT3LMNAMAPK8ALDH1A1MERTK
SCHEMBL10324016 0.78 DYRK1A (0.55) LMNAMERTKMEN1KMT2ACSNK2A1
SCHEMBL11892629 0.77 ROCK2 (0.42) ALDH1A1EGFRCYP3A4MAPK1
SCHEMBL10353467 0.76 CCNT1 (0.44) MERTK

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 8 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
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 FLT3 1618/4885LMNA 1710/4885MAPK8 1678/4885

“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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