SCHEMBL6176444

SCHEMBL6176444

N#CC(C(=O)c1ccc(F)cc1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
ALPG P10696 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SLC6A9 P48067 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL4461300 0.94 L3MBTL1 (0.50) LTA4HSMN1; SMN2LMNAALDH1A1ALPG
SCHEMBL5256232 0.84 L3MBTL1 (0.47) SMN1; SMN2LMNAALDH1A1L3MBTL1ESR2
SCHEMBL14519387 0.84 L3MBTL1 (0.49) SMN1; SMN2LMNAALDH1A1ALPGL3MBTL1
SCHEMBL8836116 0.82 POLB (0.48) SMN1; SMN2LMNAALDH1A1ALPGHPGD
SCHEMBL8836398 0.82 SMN1; SMN2 (0.43) LTA4HSMN1; SMN2LMNAALDH1A1ALPG
SCHEMBL27380660 0.82 POLB (0.48) SMN1; SMN2LMNAALDH1A1ALPGHPGD
SCHEMBL838079 0.81 L3MBTL1 (0.52) LMNAALDH1A1L3MBTL1ESR2HSD17B10
SCHEMBL7199609 0.81 LMNA (0.60) SMN1; SMN2LMNAALDH1A1ALPGL3MBTL1
SCHEMBL8836254 0.81 HSD17B10 (0.47) SMN1; SMN2LMNAALDH1A1L3MBTL1ESR2
SCHEMBL7497934 0.80 SMN1; SMN2 (0.41) LTA4HSMN1; SMN2LMNAALDH1A1ALPG

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 37 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-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
US-20160326179-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-10 US disclosed
WO-2015106158-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2015-07-16 WO disclosed
WO-1997033883-A1 NOVEL PYRIMIDINE COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1997-09-18 WO disclosed
US-5624931-A Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed
US-5559137-A PYRAZOLES, ARTHRITIS TREATMENT SMITHKLINE BEECHAM CORP. (US) 1996-09-24 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
WO-1995031451-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-11-23 WO 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 LTA4H 2870/4885SMN1; SMN2 645/4885LMNA 1622/4885
US-20160326179-A1 ORGANIC COMPOUNDS PSEN1, CKMT1A; CKMT1B, GSK3A LTA4H 2870/4885SMN1; SMN2 645/4885LMNA 1622/4885

“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.