SCHEMBL10322853

SCHEMBL10322853

Clc1ccccc1CNc1cccc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.50
▸ CCNT1 O60563 5/20 0.48
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ CXCR4 P61073 1/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ DYRK1B Q9Y463 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL10323345 0.90 FLT3 (0.59) FLT3LMNAALDH1A1CYP1A2CYP2C19
SCHEMBL10323677 0.89 LMNA (0.52) FLT3CCNT1LMNACXCR4DYRK1A
SCHEMBL10323703 0.89 CCNT1 (0.49) FLT3CCNT1LMNAALDH1A1CXCR4
SCHEMBL10322178 0.87 CCNT1 (0.54) FLT3CCNT1LMNACXCR4MAPK8
SCHEMBL10322923 0.85 FLT3 (0.46) FLT3LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL10322363 0.84 CCNT1 (0.45) FLT3CCNT1LMNACXCR4DYRK1A
SCHEMBL10322654 0.81 HRH3 (0.42) FLT3CCNT1LMNACDK9
SCHEMBL10322901 0.79 FLT3 (0.46) FLT3CCNT1LMNAALDH1A1CYP1A2
SCHEMBL10323641 0.79 FLT3 (0.58) FLT3LMNACXCR4DYRK1ADYRK1B
SCHEMBL10322823 0.78 DYRK1A (0.55) FLT3CCNT1LMNADYRK1ADYRK1B

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 1618/4885CCNT1 182/4885LMNA 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.

Send feedback