SCHEMBL1145580

SCHEMBL1145580

CCOc1cccc(C(=O)NCc2cccnc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 2/20 0.62
MMP13 P45452 1/20 0.62
POLB P06746 1/20 0.57
ROCK2 O75116 1/20 0.57
CSF1R P07333 1/20 0.57
MAPK8 P45983 1/20 0.57
MAPK9 P45984 1/20 0.57
CSNK1D P48730 1/20 0.57
MAPK10 P53779 1/20 0.57
PRKD2 Q9BZL6 1/20 0.57
TSHR P16473 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL8205735 0.81 HTT (0.61) MAPK1LMNAHTTMMP13POLB
SCHEMBL15347378 0.79 HTT (0.69) LMNAHTTMMP13POLBTSHR
SCHEMBL30076951 0.79 HTT (0.69) LMNAHTTMMP13POLBTSHR
SCHEMBL22792179 0.78 GAA (0.60) MAPK1LMNAHTTMMP13POLB
SCHEMBL29800992 0.77 HTT (1.00) LMNAHTTMMP13POLBTSHR
SCHEMBL18416069 0.77 MMP13 (1.00) LMNAHTTMMP13POLBTSHR
SCHEMBL16598258 0.75 HTT (0.76) HTTMMP13POLBTSHRCYP1A2
SCHEMBL18245531 0.75 P2RX7 (0.58) LMNAHTTPOLBMAPK8TSHR
SCHEMBL25099226 0.74 MAPK8 (0.47) MAPK1LMNAMMP13POLBROCK2
SCHEMBL5615621 0.74 MMP13 (0.76) HTTMMP13ROCK2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO claimed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US claimed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 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 (1 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 MAPK1 26/4885LMNA 1942/4885HTT 3663/4885

“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.