SCHEMBL12978751

SCHEMBL12978751

N#Cc1cc(Nc2cccc(Cl)c2)nc2ccnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
ROCK1 Q13464 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KCNN3 Q9UGI6 1/20 0.41
LMNA P02545 2/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPC1 O15118 2/20 0.40
CTSV O60911 1/20 0.38
PLAT P00750 1/20 0.38
CTSL P07711 1/20 0.38
CTSH P09668 1/20 0.38
CTSS P25774 1/20 0.38
CASP14 P31944 1/20 0.38
CTSK P43235 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL12978807 0.83 PDE10A (0.50) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL12978783 0.74 KCNN3 (0.40) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL12978935 0.73 KCNN3 (0.42) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL1934525 0.73 LMNA (0.47) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL5451854 0.73 KCNN3 (0.64) KCNN3
SCHEMBL861490 0.72 PDE10A (0.61) KCNN3CDK2
SCHEMBL12978730 0.70 PDGFRB (0.46) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL12978834 0.70 MAPT (0.45) KCNN3LMNAABCB1ABCC1ABCG2
SCHEMBL31484155 0.70 KMT2A (0.49) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL2031560 0.68 ABCB1 (0.43) ROCK1KCNN3LMNAABCB1ABCC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO 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-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 HTR3E 3975/4885HTR3B 3463/4885HTR3A 4032/4885

“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.