SCHEMBL4897952

SCHEMBL4897952

O=C(Nc1c(F)cccc1F)Nc1ncnc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PARP1 P09874 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BTK Q06187 1/20 0.38
AURKA O14965 3/20 0.37
RPS6KB1 P23443 3/20 0.37
BRAF P15056 2/20 0.37
ALDH1A1 P00352 1/20 0.35
KDR P35968 2/20 0.35
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
ERBB3 P21860 2/20 0.35
TEK Q02763 2/20 0.35
ERBB4 Q15303 2/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL9932549 0.85 BRAF (0.41) KMT2ANPC1RAB9ABRAFKDR
SCHEMBL9932544 0.83 BRAF (0.39) PARP1NPC1RAB9AAURKARPS6KB1
SCHEMBL4917831 0.80 PARP1 (0.41) PARP1BTKAURKABRAFKDR
SCHEMBL4905501 0.80 RAB9A (0.50) KMT2ACA12CA1CA2CA9
SCHEMBL3297013 0.75 HTT (0.50) KMT2ANPC1RAB9AAURKARPS6KB1
SCHEMBL9967967 0.75 BRAF (0.70) BRAF
SCHEMBL4920227 0.75 ADORA3 (0.40) PARP1BTKAURKABRAFADORA3
SCHEMBL5437606 0.74 MKNK1 (0.38) PARP1NPC1RAB9ABRAFEGFR
SCHEMBL22118770 0.74 BRD4 (0.40) PARP1NPC1RAB9ABRAFEGFR
SCHEMBL29654971 0.74 BRD4 (0.40) PARP1NPC1RAB9ABRAFEGFR

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-20080318878-A1 Antibacterial Agents RANBAXY LABORATRIES LIMITED (IN) 2008-12-25 US claimed
EP-1812455-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2007-08-01 EP claimed
WO-2006035301-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO claimed
US-20080318878-A1 Antibacterial Agents RANBAXY LABORATRIES LIMITED (IN) 2008-12-25 US disclosed
EP-1812455-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2007-08-01 EP disclosed
WO-2006035301-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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-20080318878-A1 Antibacterial Agents MLX, MGAM, CAT KMT2A 1681/4885CA12 923/4885CA1 1914/4885

“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.