SCHEMBL614767

SCHEMBL614767

Cc1c2cc[nH]c(=O)c2c(C)c2c1[nH]c1ccc(O)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.61
LIMK2 P53671 1/20 0.61
KIT P10721 4/20 0.53
PDGFRA P16234 2/20 0.53
FGFR3 P22607 2/20 0.53
CHEK1 O14757 6/20 0.48
WEE1 P30291 4/20 0.48
ROCK2 O75116 4/20 0.48
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
DYRK1A Q13627 2/20 0.45
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
TOP1 P11387 1/20 0.44
SRC P12931 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31061690 1.00 LIMK1 (0.61) LIMK1LIMK2KITPDGFRAFGFR3
SCHEMBL613137 0.82 LIMK1 (0.68) LIMK1LIMK2KITROCK2DYRK1A
SCHEMBL614498 0.77 LIMK1 (0.67) LIMK1LIMK2CHEK1HPGDSMN1; SMN2
SCHEMBL614204 0.77 KIT (0.51) KITPDGFRAFGFR3CHEK1WEE1
SCHEMBL612219 0.77 LIMK1 (1.00) LIMK1LIMK2KITPDGFRACHEK1
SCHEMBL5821446 0.75 ROCK2 (0.52) KITPDGFRAFGFR3CHEK1WEE1
SCHEMBL16433310 0.71 KIT (0.56) KITPDGFRAFGFR3CHEK1WEE1
SCHEMBL24136691 0.70 PARP1 (0.43) LIMK1LIMK2CHEK1GSK3BCYP1A2
SCHEMBL30466409 0.70 PARP1 (0.43) LIMK1LIMK2CHEK1GSK3BCYP1A2
SCHEMBL2545374 0.70 CHEK1 (0.49) KITPDGFRAFGFR3CHEK1WEE1

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
US-8604048-B2 Pyridocarbazole type compounds and applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-12-10 US disclosed
US-20120041017-A1 PYRIDOCARBAZOLE TYPE COMPOUNDS AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-02-16 US disclosed
US-20120041017-A1 PYRIDOCARBAZOLE TYPE COMPOUNDS AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-02-16 US disclosed
US-20120041017-A1 PYRIDOCARBAZOLE TYPE COMPOUNDS AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-02-16 US disclosed
WO-2010095042-A2 PYRIDOCARBAZOLE TYPE COMPOUNDS AND APPLICATIONS THEREOF CENTRE NATONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-08-26 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 (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-20120041017-A1 PYRIDOCARBAZOLE TYPE COMPOUNDS AND APPLICATIONS THEREOF NLN, OPA1, PYCR1 LIMK1 2270/4885LIMK2 2037/4885KIT 4688/4885

“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.