SCHEMBL12150259

SCHEMBL12150259

CB(O)NC(C)c1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ CPN1 P15169 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ KRAS P01116 1/20 0.38
▸ SOS1 Q07889 1/20 0.38
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ ADRB2 P07550 5/20 0.36
▸ CA1 P00915 2/20 0.35

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
SCHEMBL13537183 0.79 HDAC4 (0.44) —
SCHEMBL13652981 0.79 CPN1 (0.39) ALDH1A1KDM4EENPP2AURKARPS6KB1
SCHEMBL31413927 0.78 MAPKAPK2 (0.44) MAPKAPK2ALDH1A1AURKARPS6KB1CPN1
SCHEMBL12300282 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL10061639 0.76 MAPKAPK2 (0.46) MAPKAPK2ALDH1A1AURKARPS6KB1CPN1
SCHEMBL31226606 0.76 MAPKAPK2 (0.46) MAPKAPK2ALDH1A1AURKARPS6KB1CPN1
SCHEMBL8281143 0.73 CYP3A4 (0.50) ALDH1A1KDM4EENPP2CPN1CPB2
SCHEMBL8281139 0.73 CYP3A4 (0.50) ALDH1A1KDM4EENPP2CPN1CPB2
SCHEMBL30074145 0.73 CYP3A4 (0.50) ALDH1A1KDM4EENPP2CPN1CPB2
SCHEMBL29687003 0.73 CYP3A4 (0.50) ALDH1A1KDM4EENPP2CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 — — US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 — — US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 — — US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — 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 (5 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP MAPKAPK2 2989/4885ALDH1A1 4754/4885KDM4E 2471/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP MAPKAPK2 2989/4885ALDH1A1 4754/4885KDM4E 2471/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG MAPKAPK2 2489/4885ALDH1A1 4028/4885KDM4E 3404/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP MAPKAPK2 2989/4885ALDH1A1 4754/4885KDM4E 2471/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN MAPKAPK2 1406/4885ALDH1A1 3678/4885KDM4E 1893/4885

“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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