SCHEMBL2801067

SCHEMBL2801067

CC(C)NC(=O)c1ccnc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.57
PREP P48147 1/20 0.55
FAP Q12884 1/20 0.55
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
TAS1R2 Q8TE23 2/20 0.55
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
RET P07949 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RIPK1 Q13546 1/20 0.43
CTSA P10619 1/20 0.43
HPGDS O60760 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL24568629 0.87 PREP (0.50) FDPSPREPFAPTAS1R3TAS1R1
SCHEMBL2856403 0.87 PREP (0.50) FDPSPREPFAPTAS1R3TAS1R1
SCHEMBL2856039 0.87 PREP (0.50) FDPSPREPFAPTAS1R3TAS1R1
SCHEMBL24568251 0.84 ALDH1A1 (0.53) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL24571395 0.84 ALDH1A1 (0.53) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL2865570 0.84 PREP (0.48) FDPSPREPFAPTAS1R3TAS1R1
SCHEMBL2863472 0.82 TAS1R3 (0.57) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL20812639 0.81 FDPS (0.58) FDPSROCK2ROCK1NPSR1MEN1
SCHEMBL10491673 0.81 PREP (0.46) FDPSPREPFAPTAS1R3TAS1R1
SCHEMBL5743063 0.81 TAS1R3 (0.55) PREPFAPTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-20100168426-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2010-07-01 US disclosed
US-7705155-B2 Processes for the production of useful intermediates SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2010-04-27 US disclosed
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2009-10-01 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20070167475-A1 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2007-07-19 US disclosed
EP-1794127-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-06-13 EP disclosed
WO-2006033011-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2006-03-30 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-20070167475-A1 Novel Processes for the Production of Useful Intermediates PGD, TALDO1, COASY FDPS 56/4885PREP 2651/4885FAP 1696/4885
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates PGD, TALDO1, COASY FDPS 56/4885PREP 2651/4885FAP 1696/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX FDPS 250/4885PREP 91/4885FAP 86/4885
US-20100168426-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES PGD, TALDO1, COASY FDPS 56/4885PREP 2651/4885FAP 1696/4885

“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.