SCHEMBL1593055

SCHEMBL1593055

Nc1cnc2[nH]nc(-c3ccccn3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.55
LRRK2 Q5S007 3/20 0.53
PIM2 Q9P1W9 2/20 0.47
PIM3 Q86V86 1/20 0.43
NTRK1 P04629 1/20 0.42
DYRK1A Q13627 2/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
METAP2 P50579 2/20 0.38
ULK1 O75385 1/20 0.38
CDK7 P50613 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCE Q02156 1/20 0.38
CAMK2G Q13555 1/20 0.38
CDK5R1 Q15078 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
MAP3K19 Q56UN5 1/20 0.38
CAMKK1 Q8N5S9 1/20 0.38
CAMKK2 Q96RR4 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
SCHEMBL28549696 0.82 PIM1 (0.55) PIM1LRRK2PIM2PIM3NTRK1
SCHEMBL1592857 0.81 ALDH1A1 (0.46) PIM1PIM2PIM3NTRK1DYRK1A
SCHEMBL1639739 0.78 LRRK2 (0.67) PIM1LRRK2PIM2PIM3NTRK1
SCHEMBL1593341 0.77 PIM1 (0.49) PIM1LRRK2PIM2PIM3NTRK1
SCHEMBL11133081 0.75 CHEK1 (0.49) PIM1LRRK2PIM2METAP2KDM4E
SCHEMBL1593665 0.73 MKNK1 (0.42) ALPL
SCHEMBL1592860 0.73 KIT (0.49) DYRK1ASMN1; SMN2MAPK14
SCHEMBL22574434 0.73 KDM4E (0.46) PIM1DYRK1AMETAP2ULK1CDK7
SCHEMBL1593552 0.72 ADORA2A (0.46) PIM1
SCHEMBL1592922 0.72 NUDT1 (0.47)

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-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
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF PIM1 201/4885LRRK2 1186/4885PIM2 420/4885

“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.