SCHEMBL10323703

SCHEMBL10323703

Clc1ccc(CNc2cccc(-c3n[nH]c4nc(NCCN5CCOCC5)ncc34)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.49
▸ CXCR4 P61073 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ FLT3 P36888 2/20 0.43
▸ CYP11B2 P19099 1/20 0.42
▸ EIF2AK2 P19525 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ DYRK1A Q13627 2/20 0.41
▸ DYRK1B Q9Y463 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CDK9 P50750 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EGFR P00533 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
SCHEMBL10323677 0.92 LMNA (0.52) CCNT1CXCR4LMNABACE1FLT3
SCHEMBL10322178 0.92 CCNT1 (0.54) CCNT1CXCR4LMNABACE1FLT3
SCHEMBL10323187 0.89 EIF2AK2 (0.53) CXCR4LMNABACE1FLT3EIF2AK2
SCHEMBL10322853 0.89 FLT3 (0.50) CCNT1CXCR4LMNAFLT3TSHR
SCHEMBL10322363 0.87 CCNT1 (0.45) CCNT1CXCR4LMNABACE1FLT3
SCHEMBL10322219 0.85 LMNA (0.47) CXCR4LMNABACE1FLT3EIF2AK2
SCHEMBL10322654 0.84 HRH3 (0.42) CCNT1LMNAFLT3CDK9
SCHEMBL10322579 0.83 FLT3 (0.61) CCNT1CXCR4LMNAFLT3EIF2AK2
SCHEMBL10323641 0.82 FLT3 (0.58) CXCR4LMNAFLT3EIF2AK2DYRK1A
SCHEMBL10323052 0.79 MERTK (0.44) CCNT1CXCR4LMNABACE1FLT3

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 CCNT1 182/4885CXCR4 1691/4885LMNA 1710/4885

“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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