SCHEMBL4896396

SCHEMBL4896396

Cn1cncc1CN(CCNC(=O)OC(C)(C)C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.49
FNTB P49356 17/20 0.49
PGGT1B P53609 14/20 0.49
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
KCNH2 Q12809 1/20 0.39

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
SCHEMBL4893197 0.88 FNTA (0.45) FNTAFNTBPGGT1BCKS1BSKP1
SCHEMBL4897561 0.86 FNTA (0.53) FNTAFNTBPGGT1BKCNH2
SCHEMBL452165 0.84 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL4896990 0.81 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL15124462 0.79 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL20313968 0.74 MTNR1A (0.54) CKS1BSKP1SKP2
SCHEMBL8399559 0.74 MAPT (0.54) CKS1BSKP1SKP2
SCHEMBL28560594 0.74 ALDH1A1 (0.48)
SCHEMBL4897001 0.73 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL15125039 0.72 FNTA (0.69) FNTAFNTBPGGT1B

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-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 US disclosed
US-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria UNIVERSITY OF WASHINGTON (US) 2008-12-18 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 (2 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-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria AKR1C3, NR1H3, HCCS FNTA 18/4885FNTB 38/4885PGGT1B 912/4885
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 FNTA 1/4885FNTB 2/4885PGGT1B 34/4885

“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.