SCHEMBL4748840

SCHEMBL4748840

CCNc1ccc(F)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.53
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
KIT P10721 1/20 0.48
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
IDH1 O75874 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL30721187 1.00 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CKIT
Hydrochloric Acid SCHEMBL3718104 0.98 ADRA2A (0.53) HCAR3ADRA2AADRA2BADRA2CKIT
Hydrochloric Acid SCHEMBL3938816 0.98 ADRA2A (0.53) HCAR3ADRA2AADRA2BADRA2CKIT
SCHEMBL29966708 0.86 HCAR3 (0.45) HCAR3ADRA2AADRA2BADRA2CKIT
SCHEMBL5637602 0.85 KIT (0.56) HCAR3ADRA2AADRA2BADRA2CKIT
SCHEMBL20157086 0.84 HCAR3 (0.56) HCAR3KITGPR55IDH1MKNK1
SCHEMBL24661308 0.79 TDO2 (0.41) HCAR3GPR55IDH1MKNK1MKNK2
SCHEMBL16784530 0.79 GRM5 (0.41) HCAR3GPR55IDH1MKNK1MKNK2
SCHEMBL8177518 0.78 AURKA (0.57) HCAR3ADRA2AADRA2BADRA2CKIT
SCHEMBL10055036 0.78 GPR55 (0.60) GPR55MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190328720-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CENTAURUS THERAPEUTICS 2019-10-31 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
WO-2008117050-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRAZINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-02 WO disclosed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 US 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 HCAR3 3579/4885ADRA2A 2699/4885ADRA2B 2472/4885
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 HCAR3 3871/4885ADRA2A 4450/4885ADRA2B 4205/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 HCAR3 3579/4885ADRA2A 2699/4885ADRA2B 2472/4885
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG HCAR3 1265/4885ADRA2A 127/4885ADRA2B 231/4885
US-20190328720-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CERS2, DEGS1, SMPD1 HCAR3 1808/4885ADRA2A 2922/4885ADRA2B 2794/4885

“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.