SCHEMBL1592858

SCHEMBL1592858

Nc1cnc2[nH]nc(-c3cccc(CN4CCCCC4)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
KDM5B Q9UGL1 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KDR P35968 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CLK2 P49760 2/20 0.42
CLK3 P49761 2/20 0.42
DYRK1A Q13627 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CHEK1 O14757 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CDK7 P50613 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL1593369 0.89 LRRK2 (0.52) CNR2CNR1KDRCHEK1PARP1
SCHEMBL1593689 0.77 AURKA (0.41) CLK2CLK3DYRK1APARP1
SCHEMBL14235967 0.76 BRAF (0.45) CLK2CLK3DYRK1A
SCHEMBL3375853 0.75 DRD4 (0.53) CNR2CNR1KDRCLK2CLK3
SCHEMBL1592857 0.73 ALDH1A1 (0.46) CLK2DYRK1ASMN1; SMN2ALDH1A1
SCHEMBL8034828 0.73 BRAF (0.46) KDRCLK2CLK3DYRK1A
SCHEMBL1592922 0.73 NUDT1 (0.47) ADORA2AADORA1
SCHEMBL1593552 0.73 ADORA2A (0.46) ADORA2A
SCHEMBL16344704 0.72 GSK3B (0.57) CNR2CNR1CHEK1
SCHEMBL13572689 0.71 CHEK1 (0.61) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF CNR2 3546/4885CNR1 3221/4885KDM5B 4109/4885

“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.