SCHEMBL5032234

SCHEMBL5032234

CCC(Nc1nc(NCC2CCCCC2)nc(Nc2ccc(NC)c(F)c2)n1)C1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.40
SOS1 Q07889 3/20 0.35
ENO1 P06733 1/20 0.34
KCNH3 Q9ULD8 2/20 0.32
IDH1 O75874 4/20 0.31
PTGS2 P35354 1/20 0.30
GPR39 O43194 1/20 0.30
TRIM58 Q8NG06 1/20 0.30
CHEK1 O14757 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL5032204 0.90 GALR1 (0.41) GALR1SOS1ENO1KCNH3IDH1
SCHEMBL4839723 0.89 GALR1 (0.42) GALR1SOS1ENO1KCNH3IDH1
SCHEMBL5033962 0.89 GALR1 (0.41) GALR1SOS1ENO1KCNH3IDH1
SCHEMBL4829579 0.89 GALR1 (0.41) GALR1SOS1ENO1KCNH3IDH1
SCHEMBL5033742 0.89 GALR1 (0.41) GALR1SOS1ENO1KCNH3IDH1
SCHEMBL4836077 0.88 GALR1 (0.40) GALR1SOS1ENO1KCNH3IDH1
SCHEMBL4839616 0.88 GALR1 (0.55) GALR1SOS1ENO1CDK1CDK4
SCHEMBL4837841 0.88 GALR1 (0.55) GALR1SOS1ENO1CDK1CDK4
SCHEMBL6013860 0.88 GALR1 (0.55) GALR1SOS1ENO1CDK1CDK4
SCHEMBL5032227 0.88 GALR1 (0.40) GALR1SOS1ENO1KCNH3IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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 (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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885SOS1 762/4885ENO1 4079/4885

“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.