SCHEMBL1302835

SCHEMBL1302835

CCn1nnc(CCNC(=O)Nc2cn3cc(-c4cnn(C)c4)ccc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.43
AURKB Q96GD4 4/20 0.43
NTRK1 P04629 2/20 0.43
YES1 P07947 2/20 0.43
PIM1 P11309 1/20 0.43
PIK3CA P42336 4/20 0.42
CLK1 P49759 3/20 0.42
PIK3CG P48736 2/20 0.42
CLK2 P49760 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
ROCK2 O75116 2/20 0.40
USP30 Q70CQ3 2/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
ABL1 P00519 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL1303089 0.86 CREBBP (0.42) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL1302602 0.85 MAP3K5 (0.51) PIK3CACLK1PIK3CGCLK2PIK3CD
SCHEMBL1302670 0.83 MAP3K5 (0.44) PIK3CACLK1PIK3CGCLK2PIK3CD
SCHEMBL1303491 0.83 PIK3CA (0.41) PIK3CACLK1PIK3CGCLK2PIK3CD
SCHEMBL1302528 0.82 PIK3CA (0.44) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL1303576 0.82 PIK3CA (0.42) PIK3CACLK1PIK3CGCLK2PIK3CD
SCHEMBL1303285 0.81 BRAF (0.43) PIK3CACLK1PIK3CGCLK2PIK3CD
SCHEMBL1302385 0.81 PIK3CG (0.45) AURKBPIK3CACLK1PIK3CGCLK2
SCHEMBL3140620 0.80 PIK3CA (0.63) PIK3CACLK1PIK3CGCLK2PIK3CD
SCHEMBL1302071 0.79 PIK3CA (0.41) PIK3CACLK1PIK3CGCLK2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP claimed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO claimed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
EP-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB MAPK1 302/4885AURKB 81/4885NTRK1 668/4885

“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.