SCHEMBL13628302

SCHEMBL13628302

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 7/20 0.41
PTPRC P08575 2/20 0.39
CTSL P07711 1/20 0.39
PTPN1 P18031 1/20 0.39
CTSS P25774 1/20 0.39
PTPN13 Q12923 1/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.38
CXCR5 P32302 1/20 0.38
MAPK8 P45983 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL13628193 0.93 ALDH1A1 (0.45) RAB9AHPGDALDH1A1KDM4ENPC1
SCHEMBL13628304 0.92 RAB9A (0.41) RAB9AHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL13628306 0.92 ALDH1A1 (0.41) RAB9AHPGDALDH1A1KDM4ENPC1
SCHEMBL13628203 0.91 NPC1 (0.43) RAB9AHPGDALDH1A1KDM4ENPC1
SCHEMBL13628201 0.91 RAB9A (0.38) RAB9AHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL13628195 0.91 RPS6KA2 (0.40) RAB9AKDM4ENPC1CXCR5MAPK8
SCHEMBL13628197 0.89 NPC1 (0.39) RAB9ANPC1TP53SMN1; SMN2CXCR5
SCHEMBL13628160 0.88 MAPK8 (0.42) RAB9AHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL13628198 0.88 KMT2A (0.43) RAB9AHPGDALDH1A1KDM4ENPC1
SCHEMBL13628152 0.88 MAPK8 (0.39) RAB9AALDH1A1KDM4ENPC1SMN1; SMN2

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
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 RAB9A 3486/4885HPGD 1551/4885ALDH1A1 4310/4885

“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.