SCHEMBL19877781

SCHEMBL19877781

N#Cc1cnc2c(F)c(Cl)ccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.41
▸ CYP11B1 P15538 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MAP3K8 P41279 6/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ EGFR P00533 7/20 0.33
▸ ERBB2 P04626 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ SRC P12931 4/20 0.32
▸ PRKACA P17612 2/20 0.32
▸ PRKACG P22612 2/20 0.32
▸ PRKACB P22694 2/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PRKCA P17252 1/20 0.32

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
SCHEMBL19889983 0.87 CYP11B2 (0.38) CYP11B2CYP11B1CSNK1A1CLK4MAP3K8
SCHEMBL19877026 0.84 CYP11B2 (0.36) CYP11B2CYP11B1CSNK1A1CLK4MAP3K8
SCHEMBL19889979 0.82 CYP11B2 (0.39) CYP11B2CYP11B1CSNK1A1CLK4MAP3K8
SCHEMBL19889984 0.82 AR (0.38) CYP11B2MAP3K8EGFRERBB2
SCHEMBL19877059 0.81 SRC (0.41) MAP3K8EGFRERBB2SRCSLC6A3
SCHEMBL19889931 0.79 SLC22A12 (0.33) CYP11B2CSNK1A1CLK4MAP3K8EGFR
SCHEMBL19889938 0.78 P2RX3 (0.40) CYP11B2CYP11B1EGFRERBB2SRC
SCHEMBL19889982 0.77 KHK (0.36) CYP11B2CYP11B1CSNK1A1CLK4MAP3K8
SCHEMBL19889981 0.77 SLC6A3 (0.41) KDM4EALDH1A1POLBEGFRSLC6A3
SCHEMBL22301636 0.77 CYP11B2 (0.35) CYP11B2CYP11B1CSNK1A1CLK4MAP3K8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3496716-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 — — EP disclosed
EP-3496716-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 — — EP disclosed
EP-3496715-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 — — EP disclosed
US-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 — — US disclosed
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 — — US disclosed
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 — — US disclosed
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 — — US disclosed
US-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 — — US disclosed
US-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 — — US disclosed
EP-3496715-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE Merck Sharp & Dohme Corp. (US) 2019-06-19 — — EP disclosed
EP-3496716-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE Merck Sharp & Dohme Corp. (US) 2019-06-19 — — EP disclosed
WO-2018034918-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME CORP. (US) 2018-02-22 — — WO disclosed
WO-2018034917-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME CORP. (US) 2018-02-22 — — WO disclosed
WO-2018034918-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME CORP. (US) 2018-02-22 — — 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 (4 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-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease CYP27A1, CYP7A1, CYP7B1 CYP11B2 12/4885CYP11B1 6/4885CSNK1A1 945/4885
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 CYP11B2 8/4885CYP11B1 5/4885CSNK1A1 1056/4885
US-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 CYP11B2 8/4885CYP11B1 5/4885CSNK1A1 1225/4885
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease CYP27A1, CYP7B1, SLC10A1 CYP11B2 8/4885CYP11B1 6/4885CSNK1A1 1245/4885

“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.

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