SCHEMBL10322219

SCHEMBL10322219

Clc1ccc(CNc2cccc(-c3n[nH]c4nc(NCCN5CCOCC5)ncc34)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ CXCR4 P61073 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ EGFR P00533 3/20 0.42
▸ EIF2AK2 P19525 2/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ FLT3 P36888 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ MAPK8 P45983 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 0.92 LMNA (0.52) LMNAEGFREIF2AK2MERTKMEN1
SCHEMBL10322923 0.89 FLT3 (0.46) LMNAALDH1A1EGFREIF2AK2MERTK
SCHEMBL10324298 0.87 EGFR (0.41) LMNABACE1ALDH1A1EGFREIF2AK2
SCHEMBL10323024 0.86 ALDH1A1 (0.44) LMNAKDM4EALDH1A1EGFREIF2AK2
SCHEMBL10323703 0.85 CCNT1 (0.49) LMNABACE1CXCR4KDM4EALDH1A1
SCHEMBL10323187 0.84 EIF2AK2 (0.53) LMNABACE1CXCR4KDM4EALDH1A1
SCHEMBL14664472 0.80 MERTK (0.48) LMNABACE1CXCR4ALDH1A1EGFR
SCHEMBL10322579 0.79 FLT3 (0.61) LMNACXCR4EIF2AK2FLT3
SCHEMBL10322178 0.79 CCNT1 (0.54) LMNABACE1CXCR4EIF2AK2MEN1
SCHEMBL10324016 0.78 DYRK1A (0.55) LMNAEGFREIF2AK2MERTKMEN1

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 LMNA 1710/4885BACE1 49/4885CXCR4 1691/4885

“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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