SCHEMBL3227445

SCHEMBL3227445

O=C(Nc1ccc(F)cc1)c1ccc(Br)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.67
PTPN1 P18031 2/20 0.58
PTPN6 P29350 1/20 0.58
PTPN11 Q06124 1/20 0.58
CXCR2 P25025 6/20 0.58
KCNQ3 O43525 1/20 0.57
KCNQ2 O43526 1/20 0.57
KCNE1 P15382 1/20 0.57
KCNQ1 P51787 1/20 0.57
BACE1 P56817 1/20 0.57
MITF O75030 1/20 0.57
CXCR1 P25024 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL3501490 0.82 CXCR2 (0.57) CXCR2CYP3A4KMT2ANPC1RAB9A
SCHEMBL180882 0.81 SLC6A3 (0.54) P4HTMPTPN1KCNQ3KCNQ2KCNE1
SCHEMBL3064046 0.81 P4HTM (0.67) P4HTMPTPN1PTPN6PTPN11CXCR2
SCHEMBL2801061 0.81 P4HTM (0.67) P4HTMPTPN1PTPN6PTPN11CXCR2
SCHEMBL4740817 0.81 KCNQ3 (0.68) P4HTMPTPN1PTPN6PTPN11CXCR2
SCHEMBL2801974 0.81 KCNQ3 (0.85) P4HTMKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4619718 0.81 RAB9A (0.60) KMT2ANPC1RAB9AALDH1A1
SCHEMBL24670293 0.80 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL10684470 0.79 PTPN1 (0.88) PTPN1PTPN6PTPN11KCNQ3KCNQ2
SCHEMBL3817443 0.79 P4HTM (0.63) P4HTMPTPN1PTPN6PTPN11CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 US disclosed
US-8748623-B2 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-10 US disclosed
US-8748623-B2 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-10 US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 US disclosed
US-20100063105-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES UCB SA (GB) 2010-03-11 US disclosed
US-7151112-B1 Pharmaceutical uses and synthesis of nicotinamides UCB SA (GB) 2006-12-19 US disclosed
US-7141590-B2 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides UCB SA (GB) 2006-11-28 US disclosed
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides DARWIN DISCOVERY LIMITED (GB) 2005-02-03 US disclosed
US-6777432-B1 TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES DARWIN MOLECULAR CORPORATION 2004-08-17 US disclosed
US-20030004189-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides DARWIN DISCOVERY LTD. (GB) 2003-01-02 US disclosed
WO-2002053544-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES DARWIN DISCOVERY LTD. (GB) 2002-07-11 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 (5 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-20100063105-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES NNT, NAPRT, NNMT P4HTM 2591/4885PTPN1 1254/4885PTPN6 1060/4885
US-20030004189-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT P4HTM 2591/4885PTPN1 1254/4885PTPN6 1060/4885
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 P4HTM 1746/4885PTPN1 587/4885PTPN6 668/4885
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 P4HTM 1352/4885PTPN1 344/4885PTPN6 404/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT P4HTM 2591/4885PTPN1 1254/4885PTPN6 1060/4885

“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.