SCHEMBL4752980

SCHEMBL4752980

COc1cccc(C)c1N(C)C(=O)c1cc(-c2cnc(C)cc2C#N)c(Cl)cc1OCCCN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
NUAK1 O60285 1/20 0.34
CHEK2 O96017 1/20 0.34
RPS6KB1 P23443 1/20 0.34
FLT3 P36888 1/20 0.34
BLK P51451 1/20 0.34
PRKAG1 P54619 1/20 0.34
KCNH2 Q12809 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
S1PR4 O95977 1/20 0.33
SCN9A Q15858 2/20 0.33
CFTR P13569 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLQ O75417 2/20 0.32
CHRNA7 P36544 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL4752977 0.92 S1PR4 (0.33) S1PR4SCN9ACFTRL3MBTL1POLQ
SCHEMBL4752975 0.92 GPBAR1 (0.34) CHEK1S1PR4SCN9APOLQGPBAR1
SCHEMBL30509037 0.90 GPBAR1 (0.33) CHEK1NUAK1CHEK2RPS6KB1FLT3
SCHEMBL3337468 0.90 GPBAR1 (0.33) CHEK1NUAK1CHEK2RPS6KB1FLT3
SCHEMBL4753006 0.88 S1PR4 (0.38) S1PR4SCN9APOLQCHRNA7ALDH1A1
SCHEMBL3336919 0.87 S1PR4 (0.33) CHEK1PRKAG1PRKAA1PRKAB1S1PR4
SCHEMBL21912473 0.86 S1PR4 (0.33) S1PR4SCN9APOLQCHRNA7SSTR2
SCHEMBL3335201 0.86 SCN9A (0.35) CHEK1S1PR4SCN9ACHRNA7CYP1A2
SCHEMBL3338825 0.85 CHEK1 (0.35) CHEK1S1PR4SCN9A
SCHEMBL3340518 0.83 GPBAR1 (0.34) S1PR4SCN9ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-01 US disclosed
US-20170320888-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2017-11-09 US disclosed
US-9422310-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2016-08-23 US disclosed
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2015-07-02 US disclosed
US-8952161-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140024665-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2014-01-23 US disclosed
US-8481738-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
US-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2012-05-17 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-20170320888-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR CHEK1 4581/4885NUAK1 4370/4885CHEK2 4418/4885
US-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR CHEK1 4581/4885NUAK1 4370/4885CHEK2 4418/4885
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR CHEK1 4581/4885NUAK1 4370/4885CHEK2 4418/4885
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CHEK1 4581/4885NUAK1 4370/4885CHEK2 4418/4885
US-20140024665-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR CHEK1 4581/4885NUAK1 4370/4885CHEK2 4418/4885

“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.