SCHEMBL3843161

SCHEMBL3843161

O=c1[nH]c2cnc(Cl)cc2c(NC2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.79
PRKD3 O94806 3/20 0.71
PRKCG P05129 3/20 0.71
PRKCB P05771 3/20 0.71
PRKCA P17252 3/20 0.71
CCNA2 P20248 3/20 0.71
PRKCH P24723 3/20 0.71
CDK2 P24941 3/20 0.71
PRKCI P41743 3/20 0.71
PRKCE Q02156 3/20 0.71
PRKCQ Q04759 3/20 0.71
PRKCZ Q05513 3/20 0.71
PRKCD Q05655 3/20 0.71
PRKD1 Q15139 3/20 0.71
AURKA O14965 1/20 0.55
PDGFRB P09619 3/20 0.49
FGFR1 P11362 3/20 0.49
KDR P35968 3/20 0.49

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
SCHEMBL14795987 1.00 CHEK1 (0.79) CHEK1PRKD3PRKCGPRKCBPRKCA
SCHEMBL14796445 0.90 CHEK1 (0.77) CHEK1PRKD3PRKCGPRKCBPRKCA
SCHEMBL3841380 0.90 CHEK1 (0.77) CHEK1PRKD3PRKCGPRKCBPRKCA
SCHEMBL14796349 0.90 CHEK1 (0.77) CHEK1PRKD3PRKCGPRKCBPRKCA
SCHEMBL3737545 0.89 CHEK1 (0.82) CHEK1PRKD3PRKCGPRKCBPRKCA
SCHEMBL14795559 0.89 CHEK1 (0.82) CHEK1PRKD3PRKCGPRKCBPRKCA
SCHEMBL3383628 0.89 CHEK1 (0.82) CHEK1PRKD3PRKCGPRKCBPRKCA
SCHEMBL3384695 0.88 CHEK1 (1.00) CHEK1PRKD3PRKCGPRKCBPRKCA
SCHEMBL3383518 0.88 CHEK1 (1.00) CHEK1PRKD3PRKCGPRKCBPRKCA
SCHEMBL31207550 0.88 CHEK1 (1.00) CHEK1PRKD3PRKCGPRKCBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313734-B1 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-11 EP disclosed
US-7368459-B2 Heterocyclic compounds CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20070032528-A1 Heterocyclic compounds RENHOWE PAUL A 2007-02-08 US disclosed
US-7138409-B2 Heterocyclic compounds CHIRON CORPORATION (US) 2006-11-21 US disclosed
US-20050137188-A1 Heterocyclic compounds CHIRON CORPORATION 2005-06-23 US disclosed
US-6759417-B2 VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS; SUCH AS 7-AMINO-6-(1H-BENZIMIDAZOL-2-YL)-3,4-DIHYDRO-5H-IMIDAZO(4,5-B)PYRIDIN-5-ONE CHIRON CORPORATION 2004-07-06 US disclosed
US-6756383-B2 SUCH AS 3-(2-(METHOXYCARBONYL)ACETYLAMINO)PYRIDINE-4-CARBOXYLIC ACID FOR TREATMENT OF DISEASES CHARACTERIZED BY ACTIVITY OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASES; ENZYME INHIBITORS CHIRON CORPORATION 2004-06-29 US disclosed
US-20040002518-A1 Heterocyclic compounds CHIRON CORPORATION 2004-01-01 US disclosed
EP-1313734-A2 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE CHIRON CORPORATION (US) 2003-05-28 EP disclosed
US-20020103230-A1 Heterocyclic compounds CHIRON CORPORATION 2002-08-01 US disclosed
WO-2002018383-A2 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE CHIRON CORPORATION (US) 2002-03-07 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 (4 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-20020103230-A1 Heterocyclic compounds SLCO2A1, SLCO1B1, SLCO2B1 CHEK1 4225/4885PRKD3 3266/4885PRKCG 4351/4885
US-20070032528-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 CHEK1 3861/4885PRKD3 3186/4885PRKCG 4196/4885
US-20050137188-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 CHEK1 3861/4885PRKD3 3186/4885PRKCG 4196/4885
US-20040002518-A1 Heterocyclic compounds SLCO2A1, SLCO1B1, SLCO2B1 CHEK1 4225/4885PRKD3 3266/4885PRKCG 4351/4885

“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.