SCHEMBL10322178

SCHEMBL10322178

Clc1cccc(CNc2cccc(-c3n[nH]c4nc(NCCN5CCOCC5)ncc34)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 0.54
▸ FLT3 P36888 2/20 0.52
▸ LMNA P02545 2/20 0.46
▸ CXCR4 P61073 1/20 0.44
▸ CDK9 P50750 2/20 0.43
▸ EIF2AK2 P19525 1/20 0.43
▸ BACE1 P56817 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ DYRK1B Q9Y463 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CB P42338 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
SCHEMBL10323703 0.92 CCNT1 (0.49) CCNT1FLT3LMNACXCR4CDK9
SCHEMBL10322579 0.91 FLT3 (0.61) CCNT1FLT3LMNACXCR4EIF2AK2
SCHEMBL10323677 0.91 LMNA (0.52) CCNT1FLT3LMNACXCR4CDK9
SCHEMBL10322853 0.87 FLT3 (0.50) CCNT1FLT3LMNACXCR4CDK9
SCHEMBL10322363 0.85 CCNT1 (0.45) CCNT1FLT3LMNACXCR4CDK9
SCHEMBL10322415 0.83 FLT3 (0.51) CCNT1FLT3CDK9EIF2AK2BACE1
SCHEMBL10354002 0.83 FLT3 (0.51) CCNT1FLT3CDK9EIF2AK2BACE1
SCHEMBL10322654 0.82 HRH3 (0.42) CCNT1FLT3LMNACDK9
SCHEMBL10323194 0.82 FLT3 (0.50) CCNT1FLT3CDK9EIF2AK2BACE1
SCHEMBL10323187 0.81 EIF2AK2 (0.53) FLT3LMNACXCR4EIF2AK2BACE1

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 182/4885FLT3 1618/4885LMNA 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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