SCHEMBL10322363

SCHEMBL10322363

c1cc(NCc2ccsc2)nc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.45
▸ CXCR4 P61073 1/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ DYRK1B Q9Y463 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CDK9 P50750 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ FLT3 P36888 2/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EGFR P00533 2/20 0.36
▸ TGFBR1 P36897 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
SCHEMBL10324576 0.89 MKNK1 (0.49) CXCR4DYRK1ADYRK1BLMNAHTR2A
SCHEMBL10323677 0.89 LMNA (0.52) CCNT1CXCR4DYRK1ADYRK1BLMNA
SCHEMBL10323703 0.87 CCNT1 (0.49) CCNT1CXCR4DYRK1ADYRK1BLMNA
SCHEMBL10324298 0.85 EGFR (0.41) DYRK1ADYRK1BLMNAHTR2AMKNK1
SCHEMBL10322178 0.85 CCNT1 (0.54) CCNT1CXCR4DYRK1ADYRK1BLMNA
SCHEMBL10322853 0.84 FLT3 (0.50) CCNT1CXCR4DYRK1ADYRK1BLMNA
SCHEMBL10322654 0.81 HRH3 (0.42) CCNT1LMNACDK9FLT3
SCHEMBL10322157 0.80 MERTK (0.43) CCNT1CXCR4LMNACDK9FLT3
SCHEMBL10323641 0.79 FLT3 (0.58) CXCR4DYRK1ADYRK1BLMNAFLT3
SCHEMBL11892621 0.77 PIM1 (0.40) CCNT1DYRK1ADYRK1B

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 9 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
WO-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO 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 1691/4885DYRK1A 1060/4885

“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.

Send feedback