SCHEMBL12015946

SCHEMBL12015946

c1ccc(Nc2ncc(-c3ccccc3)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.50
▸ ABL1 P00519 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ PRKCA P17252 1/20 0.47
▸ PRKCD Q05655 1/20 0.47
▸ KDR P35968 4/20 0.46
▸ IGF1R P08069 2/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ FLT4 P35916 2/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CDK5 Q00535 2/20 0.45
▸ CAMK2D Q13557 2/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ INSR P06213 1/20 0.45

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
SCHEMBL837257 0.79 MAPT (0.53) ACHEMAPTHSD17B10LMNAMAPK1
SCHEMBL12015941 0.76 MAPT (0.51) ABL1EGFRPRKCAPRKCDKDR
SCHEMBL10974762 0.76 CHEK1 (0.60) ABL1EGFRPRKCAPRKCDKDR
SCHEMBL31592782 0.75 KDM4E (0.54) KDRMAPTHSD17B10LMNAMAPK1
SCHEMBL23888752 0.75 HSD17B10 (0.61) PRKCDCDK2AURKAPDPK1CDK1
Diphenylamine SCHEMBL28773405 0.73 PDGFRB (0.61) KDRJAK2FLT3JAK3MAPT
SCHEMBL15871200 0.71 MAPT (0.62) ABL1EGFRPRKCAPRKCDSYK
SCHEMBL1593016 0.70 PRKCD (0.79) ABL1EGFRPRKCAPRKCDJAK2
SCHEMBL13380906 0.70 MAPT (0.56) MAPTLMNA
SCHEMBL26569790 0.70 NPC1 (0.56) ACHEKDRFLT3MAPTHSD17B10

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
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 — — US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — 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 (3 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ACHE 656/4885ABL1 492/4885EGFR 4675/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ACHE 656/4885ABL1 492/4885EGFR 4675/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ACHE 656/4885ABL1 492/4885EGFR 4675/4885

“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.

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