SCHEMBL2547696

SCHEMBL2547696

O=Cc1c(Br)ccn1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
FGFR1 P11362 1/20 0.39
MGLL Q99685 1/20 0.39
NOTUM Q6P988 1/20 0.38
IDO1 P14902 1/20 0.38
MAPK1 P28482 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
THRB P10828 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2A P28223 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
SCHEMBL2545737 0.78 MEN1 (0.43) ROCK2PIM1PIM3FGFR1MGLL
SCHEMBL8107256 0.72 MGLL (0.43) ROCK2PIM1PIM3FGFR1MGLL
SCHEMBL2542214 0.70 MGLL (0.44) ROCK2PIM1PIM3FGFR1MGLL
SCHEMBL11277218 0.66 ALDH1A1 (0.46) MGLLNOTUMCYP1A2CYP2C9CYP2C19
SCHEMBL15330453 0.66 CYP1A2 (0.39) MGLLNOTUMIDO1MAPK1TP53
SCHEMBL30431522 0.66 FGFR1 (0.46) ROCK2PIM1PIM3FGFR1MGLL
SCHEMBL2222230 0.65 MGLL (0.50) FGFR1MGLLNOTUMIDO1HCAR1
SCHEMBL5663553 0.65 BIRC5 (0.66) ROCK2PIM1PIM3FGFR1MGLL
SCHEMBL29896808 0.65 BIRC5 (0.66) ROCK2PIM1PIM3FGFR1MGLL
SCHEMBL5661109 0.65 ROCK2 (0.56) ROCK2PIM1PIM3FGFR1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102256961-A Pyrrole derivatives for use as plant growth regulators SYNGENTA PARTICIPATIONS AG 2011-11-23 CN disclosed
US-20110263431-A1 PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-27 US disclosed
EP-2266970-A1 Substituted aromatic heterocyclic compounds as fungicides Syngenta Participations AG (CH) 2010-12-29 EP disclosed
US-20100292258-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-18 US disclosed
CN-101687843-A Substituted aromatic heterocyclic compounds as fungicides SYNGENTA PARTICIPATIONS AG 2010-03-31 CN disclosed
EP-2155714-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2010-02-24 EP disclosed
WO-2008155081-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-12-24 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 (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-20100292258-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES NAT1, NOX1, CBR1 ROCK2 1358/4885PIM1 476/4885PIM3 629/4885
US-20110263431-A1 PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS PIN1, PPIE, ALDH18A1 ROCK2 1444/4885PIM1 1118/4885PIM3 1279/4885

“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.