SCHEMBL964757

SCHEMBL964757

NNC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
AOC2 O75106 3/20 0.44
SIGMAR1 Q99720 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
GAA P10253 2/20 0.40
AOC3 Q16853 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
IDO1 P14902 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL19224661 0.83 MAPK8 (0.39) MAPK8MEN1KMT2ACYP1A2CYP3A4
SCHEMBL604117 0.82 MAPK8 (0.43) MAPK8MEN1KMT2ACYP1A2CYP2C9
SCHEMBL965596 0.81 AOC2 (0.58) MAPK8MEN1KMT2ACYP1A2CYP3A4
SCHEMBL13329774 0.79 KMT2A (0.53) MAPK8MEN1KMT2ASIGMAR1SMYD3
SCHEMBL754150 0.79 GAA (0.63) MAPK8KMT2AAOC2GAAAOC3
SCHEMBL21672231 0.79 KMT2A (0.53) MAPK8MEN1KMT2ASIGMAR1SMYD3
SCHEMBL26542658 0.78 P2RX7 (0.41) MAPK8KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8640586 0.76 TACR1 (0.55) MEN1KMT2ASMYD3IDO1KDM4E
SCHEMBL21981007 0.76 MEN1 (0.50) MAPK8MEN1KMT2ASIGMAR1GAA
Hydrochloric Acid SCHEMBL26127531 0.76 P2RX7 (0.40) MAPK8KMT2ACYP1A2CYP3A4CYP2C9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
EP-3634406-B1 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF BOARD OF TRUSTEES OF THE SOUTHERN ILLINOIS UNIV ON BEHALF OF SOUTHERN ILLINOIS UNIV EDWARDSVILLE (US) 2023-09-06 EP disclosed
EP-3634406-B1 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF BOARD OF TRUSTEES OF THE SOUTHERN ILLINOIS UNIV ON BEHALF OF SOUTHERN ILLINOIS UNIV EDWARDSVILLE (US) 2023-09-06 EP disclosed
US-20230002336-A1 MrgprX2 Antagonists and Uses Thereof DERMIRA, INC. 2023-01-05 US disclosed
EP-4055011-A1 MRGPRX2 ANTAGONISTS AND USES THEREOF Dermira, Inc (US) 2022-09-14 EP disclosed
CN-114728919-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-07-08 CN disclosed
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof Board of Trustees of the Southern Illinois University (US) 2022-01-06 US disclosed
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof Board of Trustees of the Southern Illinois University (US) 2022-01-06 US disclosed
EP-3634406-A2 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF Board of Trustees of The Southern Illinois University on behalf of Southern Illinois University Edwardsville (US) 2020-04-15 EP disclosed
WO-2018209267-A2 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF BOARD OF TRUSTEES OF THE SOUTHERN ILLINOIS UNIVERSITY ON BEHALF OF SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2018-11-15 WO disclosed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 WO disclosed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR MAPK8 2537/4885MEN1 4802/4885KMT2A 1772/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR MAPK8 2537/4885MEN1 4802/4885KMT2A 1772/4885
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof SSTR4, SSTR3, SSTR5 MAPK8 1881/4885MEN1 1354/4885KMT2A 3857/4885
US-20230002336-A1 MrgprX2 Antagonists and Uses Thereof MRGPRX2, MRGPRX1, MRGPRX4 MAPK8 3277/4885MEN1 3172/4885KMT2A 3840/4885
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR5, SSTR3 MAPK8 1883/4885MEN1 1253/4885KMT2A 4067/4885

“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.