SCHEMBL14775

SCHEMBL14775

N=C(N)N[C@@H]1CCN(Cc2ccc(-n3cc4cc[nH]c4nc3=O)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.39
ROCK2 O75116 2/20 0.38
JAK2 O60674 4/20 0.38
JAK3 P52333 4/20 0.38
JAK1 P23458 4/20 0.38
TYK2 P29597 2/20 0.38
CCR3 P51677 3/20 0.38
MCHR1 Q99705 3/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR2 Q969V1 1/20 0.36
GRM2 Q14416 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
SCHEMBL14824 0.95 ROCK2 (0.44) ROCK2JAK2JAK3MCHR1CCR2
SCHEMBL17277305 0.85 ROCK2 (0.40) TEAD1ROCK2CCR3MCHR1DRD2
SCHEMBL12075449 0.83 CCR2 (0.39) TEAD1ROCK2CCR3MCHR1DRD2
SCHEMBL12062170 0.83 ROCK2 (0.39) TEAD1ROCK2CCR3MCHR1CCR2
SCHEMBL17277490 0.80 ROCK2 (0.46) ROCK2CCR2
SCHEMBL14830 0.80 PRKACA (0.43) ROCK2JAK2JAK3JAK1TYK2
SCHEMBL12075870 0.78 ROCK2 (0.45) ROCK2CCR2
SCHEMBL12075462 0.78 ROCK2 (0.44) ROCK2MCHR1CCR2
SCHEMBL20082562 0.75 ADORA2B (0.42) CCR3
SCHEMBL14773 0.72 ROCK2 (0.33) TEAD1ROCK2CCR3DRD2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT TEAD1 2100/4885ROCK2 3307/4885JAK2 3797/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TEAD1 2100/4885ROCK2 3307/4885JAK2 3797/4885

“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.