SCHEMBL4036841

SCHEMBL4036841

NC(=O)c1c(Cl)c(-c2cccnc2)n2c1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 1/20 0.40
GCK P35557 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.39
NAMPT P43490 2/20 0.39
GBA1 P04062 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
P2RX7 Q99572 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL4045215 0.92 CYP11B1 (0.43) CYP11B1CYP3A4CYP2D6GCKL3MBTL1
SCHEMBL4036720 0.89 GBA1 (0.43) CYP2D6GCKL3MBTL1LMNAGBA1
SCHEMBL14394007 0.87 CYP11B1 (0.41) CYP11B1CYP3A4CYP2D6GCKL3MBTL1
SCHEMBL4047940 0.82 LSS (0.37) CYP3A4CYP2D6GBA1CSNK1E
SCHEMBL14393987 0.80 TRPV1 (0.52) CSNK1E
SCHEMBL4037080 0.80 HTT (0.48) LMNAGBA1CSNK1EALDH1A1
SCHEMBL4044206 0.79 KMT2A (0.42) CSNK1EALDH1A1
SCHEMBL4041961 0.79 PKM (0.47) GBA1ALDH1A1
SCHEMBL4043222 0.79 GBA1 (0.42) L3MBTL1LMNAGBA1ALDH1A1
SCHEMBL4045127 0.77 GBA1 (0.46) L3MBTL1LMNAHSD11B1GBA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CYP11B1 415/4885CYP3A4 1524/4885CYP2D6 585/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CYP11B1 759/4885CYP3A4 1900/4885CYP2D6 2292/4885

“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.