SCHEMBL828339

SCHEMBL828339

NC(C(=O)c1ccc(F)cc1)c1ccnc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
KDM2B Q8NHM5 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALPG P10696 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C2 P08235 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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 SCHEMBL829386 0.98 LTA4H (0.37) LTA4HKMT2APTGDR2CES2CES1
Hydrochloric Acid SCHEMBL4463015 0.84 PTGDR2 (0.38) LTA4HKMT2APTGDR2CES2CES1
Hydrochloric Acid SCHEMBL4463000 0.84 HDAC1 (0.36) LTA4HKMT2ACES2CES1KDM5A
SCHEMBL828577 0.82 PTGDR2 (0.41) PTGDR2RAB9APTGS2SMN1; SMN2NR3C2
SCHEMBL3111331 0.82 LTA4H (0.38) LTA4HKMT2APTGDR2CES2CES1
SCHEMBL8836398 0.81 SMN1; SMN2 (0.43) LTA4HKMT2APTGDR2CES2CES1
Hydrochloric Acid SCHEMBL829558 0.81 PTGDR2 (0.41) PTGDR2RAB9APTGS2SMN1; SMN2NR3C2
Hydrochloric Acid SCHEMBL4466535 0.81 PTGDR2 (0.41) KMT2APTGDR2KDM5AKDM4CKDM5B
Bromide SCHEMBL3888195 0.81 LTA4H (0.37) LTA4HKMT2APTGDR2CES2CES1
SCHEMBL828704 0.80 MAPK14 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
WO-2011100769-A2 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2011-08-18 WO disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US 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 (3 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 LTA4H 2107/4885KMT2A 1086/4885PTGDR2 1423/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 LTA4H 2107/4885KMT2A 1086/4885PTGDR2 1423/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B LTA4H 482/4885KMT2A 3199/4885PTGDR2 267/4885

“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.