SCHEMBL5115095

SCHEMBL5115095

CCNC(=O)Nc1cc(Nc2ccc3c(ccn3C(=O)NCC)c2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.45
MAPK8 P45983 10/20 0.45
MAPK9 P45984 10/20 0.45
MAPK10 P53779 10/20 0.45
MAPK1 P28482 6/20 0.41
MAPK14 Q16539 2/20 0.41
NAMPT P43490 1/20 0.41
EGFR P00533 1/20 0.39
ERBB3 P21860 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
SCHEMBL5108035 0.90 KDR (0.43) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5114240 0.90 CYP1A2 (0.46) PIK3CAMAPK8MAPK9MAPK10NAMPT
SCHEMBL5113948 0.89 MAOA (0.46) PIK3CAMAPK8MAPK9MAPK10NAMPT
SCHEMBL5115530 0.88 CDK5 (0.43) PIK3CAMAPK8MAPK9MAPK10NAMPT
SCHEMBL5108785 0.81 CYP3A4 (0.41) EGFR
SCHEMBL5114224 0.81 KDR (0.38) MAPK1NAMPTEGFRERBB3
SCHEMBL5108434 0.80 S1PR1 (0.43) NAMPTEGFRERBB3
SCHEMBL28764394 0.80 KDM4E (0.38) MAPK8MAPK9MAPK10
SCHEMBL13999506 0.78 EGFR (0.41) MAPK14NAMPTEGFR
SCHEMBL5113789 0.78 EGFR (0.42) EGFRERBB3

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
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
CN-100339376-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-09-26 CN disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 PIK3CA 4313/4885MAPK8 2266/4885MAPK9 1739/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 PIK3CA 4313/4885MAPK8 2266/4885MAPK9 1739/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 PIK3CA 4313/4885MAPK8 2266/4885MAPK9 1739/4885

“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.