SCHEMBL6177789

SCHEMBL6177789

Nc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.59
MAPK11 Q15759 8/20 0.56
MAPK13 O15264 3/20 0.50
MAPK12 P53778 3/20 0.50
GCGR P47871 2/20 0.50
ALOX5 P09917 1/20 0.50
SRC P12931 3/20 0.49
BRAF P15056 3/20 0.49
KDR P35968 3/20 0.49
MAPK9 P45984 2/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
FRK P42685 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
GSK3B P49841 1/20 0.49
PTK6 Q13882 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
KCNH2 Q12809 1/20 0.47

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
SCHEMBL7491106 1.00 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5255543 0.84 MAPK11 (0.52) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL19972125 0.83 MKNK1 (0.51) MAPK14MAPK11MAPK13MAPK12SRC
SCHEMBL14519385 0.83 MKNK1 (0.51) MAPK14MAPK11MAPK13MAPK12SRC
SCHEMBL5258469 0.82 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL14519418 0.82 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL8836383 0.82 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12
SCHEMBL8836207 0.82 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL8836352 0.82 KDM4E (0.50) MAPK14MAPK11
SCHEMBL14521828 0.82 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091982-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2019-04-17 EP disclosed
EP-3091982-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2019-04-17 EP disclosed
US-9944648-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-04-17 US disclosed
US-9944648-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-04-17 US disclosed
US-9944648-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-04-17 US disclosed
US-20170190703-A9 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-06 US disclosed
US-20170190703-A9 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-06 US disclosed
US-20170190703-A9 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-06 US disclosed
EP-3091982-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2016-11-16 EP disclosed
US-20160326179-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-10 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed
CN-1041929-C Pyrazolitriazines with interleukin-1 and tumour necrosis factor inhibitory activity FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-03 CN disclosed
US-5670503-A PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR MEDIATED DISEASES SUCH AS INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5624931-A Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed
CN-1120840-A Pyrazolitriazines with interleukin-1 and tumour necrosis factor inhibitory activity FUJISAWA PHARAMCEUTICAL CO LTD (JP) 1996-04-17 CN disclosed
US-5478827-A Inhibits Interleukin-1 and tumor necrosis factor production FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 US disclosed
EP-0686156-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-13 EP disclosed
US-5356897-A Inhibit the production of Interleukin-1 and tumor necrosis factor; administering for treatment of chronic inflammatory diseases, autoimmune diseases and sepsis-induced organ injury FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
WO-1994019350-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
EP-0531901-A2 Condensed pyrazole derivatives with interleukin-1 and tumour necrosis factor inhibitory activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP 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 (2 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-20170190703-A9 ORGANIC COMPOUNDS PSEN1, CKMT1A; CKMT1B, GSK3A MAPK14 2412/4885MAPK11 1634/4885MAPK13 2382/4885
US-20160326179-A1 ORGANIC COMPOUNDS PSEN1, CKMT1A; CKMT1B, GSK3A MAPK14 2412/4885MAPK11 1634/4885MAPK13 2382/4885

“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.