SCHEMBL14824

SCHEMBL14824

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
KMT2A Q03164 3/20 0.39
CCR2 P41597 1/20 0.38
NPC1 O15118 1/20 0.37
MCHR1 Q99705 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
SCHEMBL14775 0.95 TEAD1 (0.39) ROCK2JAK2JAK3CCR2MCHR1
SCHEMBL17277490 0.85 ROCK2 (0.46) ROCK2KMT2ACCR2
SCHEMBL14830 0.84 PRKACA (0.43) ROCK2JAK2JAK3
SCHEMBL12075870 0.84 ROCK2 (0.45) ROCK2KMT2ACCR2
SCHEMBL12075462 0.83 ROCK2 (0.44) ROCK2KMT2ACCR2MCHR1
SCHEMBL17277305 0.80 ROCK2 (0.40) ROCK2CCR2MCHR1
SCHEMBL12075449 0.78 CCR2 (0.39) ROCK2CCR2MCHR1
SCHEMBL12062170 0.78 ROCK2 (0.39) ROCK2CCR2MCHR1
SCHEMBL20082391 0.72 POLB (0.41) ROCK2KMT2ANPC1
SCHEMBL20082562 0.70 ADORA2B (0.42) KMT2A

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-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-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 ROCK2 3307/4885JAK2 3797/4885JAK3 3069/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ROCK2 3307/4885JAK2 3797/4885JAK3 3069/4885

“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.