SCHEMBL3599515

SCHEMBL3599515

Clc1cccc(Nc2nccc(-c3cccnc3Cl)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.65
BCR P11274 1/20 0.65
PRKCA P17252 1/20 0.65
PRKCD Q05655 1/20 0.65
CAMK2D Q13557 6/20 0.60
PIK3CA P42336 2/20 0.58
PIK3CB P42338 2/20 0.58
PIK3CG P48736 2/20 0.58
CDK2 P24941 6/20 0.57
CDK4 P11802 3/20 0.57
PLK1 P53350 1/20 0.55
EIF2AK2 P19525 2/20 0.53
CSNK2A1 P68400 1/20 0.53
CDK1 P06493 2/20 0.51
SMG1 Q96Q15 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
CCNT1 O60563 1/20 0.51
CCNB1 P14635 1/20 0.51
XBP1 P17861 1/20 0.51

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
SCHEMBL13503026 0.87 ABL1 (0.62) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3612888 0.87 ABL1 (0.62) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3609179 0.87 CDK2 (0.64) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3605872 0.85 PIK3CA (0.62) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3602654 0.85 ABL1 (0.59) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3603943 0.84 ABL1 (0.59) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3607643 0.84 ABL1 (0.59) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3601621 0.84 ABL1 (0.59) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL5999614 0.84 PIK3CG (0.71) ABL1CAMK2DPIK3CAPIK3CBPIK3CG
SCHEMBL3608866 0.84 ABL1 (0.58) ABL1BCRPRKCAPRKCDCAMK2D

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-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
EP-2094682-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008079933-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS NOVARTIS AG (CH) 2008-07-03 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABL1 3215/4885BCR 3115/4885PRKCA 4612/4885

“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.