SCHEMBL79014

SCHEMBL79014

O=C(Cl)c1cnc(Cl)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 17/20 0.60
ATF1 P18846 13/20 0.60
XPO1 O14980 5/20 0.58
JUN P05412 5/20 0.57
NFKB2 Q00653 5/20 0.57
RELA Q04206 5/20 0.57

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
SCHEMBL8396865 0.86 NFKB1 (0.58) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL480176 0.86 XPO1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL17315283 0.84 NFKB1 (0.58) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL9564861 0.84 NFKB1 (0.58) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL8518174 0.84 NFKB1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL9564875 0.83 NFKB1 (0.57) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL8539891 0.82 NFKB1 (0.55) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL8281060 0.82 NFKB1 (0.52) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL3066551 0.81 KDM4E (0.46) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL14070976 0.81 NFKB1 (0.41) NFKB1ATF1XPO1JUNNFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382893-A1 AMIDE DERIVATIVE HAVING ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2023-11-30 US disclosed
US-20230382893-A1 AMIDE DERIVATIVE HAVING ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2023-11-30 US disclosed
US-20200138812-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS LLC (US) 2020-05-07 US disclosed
US-20200138812-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS LLC (US) 2020-05-07 US disclosed
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, LLC 2018-05-17 US disclosed
US-20180117041-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-20180117041-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, INC. 2017-08-17 US disclosed
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, INC. 2017-08-17 US disclosed
US-9707232-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-6117821-A COMPRISING HERBICIDES AND AGRONOMICALLY ACCEPTABLE CARRIERS; USE THEREOF AS BROAD SPECTRUM HERBICIDES WHICH ARE EFFECTIVE AGAINST BOTH MONOCOT AND DICOT WEED SPECIES IN BOTH PREEMERGENCE AND POSTEMERGENCE APPLICATIONS ROHM AND HAAS COMPANY (US) 2000-09-12 US disclosed
EP-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
US-5852028-A Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions SIGNAL PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
US-5811428-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
EP-0850228-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-07-01 EP disclosed
WO-1997009315-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 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-20180117041-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 NFKB1 2853/4885ATF1 2247/4885XPO1 787/4885
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 NFKB1 1156/4885ATF1 221/4885XPO1 4057/4885
US-20230382893-A1 AMIDE DERIVATIVE HAVING ANTIVIRAL ACTIVITY ZC3HAV1, ZC3HAV1L, IFNAR1 NFKB1 2121/4885ATF1 3055/4885XPO1 2951/4885
US-20200138812-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 NFKB1 2853/4885ATF1 2247/4885XPO1 787/4885
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 NFKB1 1156/4885ATF1 221/4885XPO1 4057/4885

“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.