SCHEMBL3314889

SCHEMBL3314889

Clc1cc2cnccc2cc1SC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.48
CHUK O15111 6/20 0.45
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK1 Q13464 4/20 0.42
LCK P06239 2/20 0.42
PRKCZ Q05513 1/20 0.41
AKT1 P31749 9/20 0.39

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
Hydrochloric Acid SCHEMBL3311671 0.99 IKBKB (0.47) IKBKBCHUKMEN1CYP1A2KMT2A
SCHEMBL3313978 0.95 IKBKB (0.44) IKBKBCHUKMEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL3314864 0.94 IKBKB (0.43) IKBKBCHUKMEN1CYP1A2KMT2A
SCHEMBL13398522 0.92 PRKCZ (0.45) IKBKBCHUKMEN1CYP1A2KMT2A
SCHEMBL3311586 0.92 PRKCZ (0.45) IKBKBCHUKMEN1CYP1A2KMT2A
SCHEMBL3311588 0.92 PRKCZ (0.45) IKBKBCHUKMEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL3312547 0.91 PRKCZ (0.44) IKBKBCHUKMEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL3312556 0.91 PRKCZ (0.44) IKBKBCHUKMEN1CYP1A2KMT2A
SCHEMBL3313582 0.85 ROCK1 (0.47) IKBKBCHUKROCK1PRKCZAKT1
SCHEMBL1571484 0.84 SMYD3 (0.41) IKBKBCHUKROCK1LCKPRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
EP-2114920-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-11 EP disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 IKBKB 837/4885CHUK 756/4885MEN1 3505/4885

“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.