SCHEMBL17765252

SCHEMBL17765252

CC(C(=O)O)(c1ncc(C(F)(F)F)cn1)C(C#N)C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGBL2 Q5U5Z8 1/20 0.36
▸ KMT2A Q03164 2/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RAPGEF3 O95398 1/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL17765157 0.81 POLB (0.41) AGBL2KMT2AKDM4EGAAMAPT
SCHEMBL17765162 0.78 DGAT1 (0.34) PPARDPPARA
SCHEMBL38656424 0.74 AGBL2 (0.44) AGBL2KMT2APPARGPPARDPPARA
SCHEMBL17765135 0.74 AGBL2 (0.44) AGBL2KMT2APPARGPPARDPPARA
SCHEMBL17765122 0.70 KCNJ11 (0.34) PPARGLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL17765339 0.69 CTSL (0.40) KMT2AMAPTLMNAALDH1A1MAPK1
SCHEMBL12066413 0.69 KDM4E (0.37) KDM4EMAPTLMNASMN1; SMN2NPC1
SCHEMBL18982796 0.67 HSD11B1 (0.38) PPARAKDM4EALDH1A1L3MBTL1SLC22A12
SCHEMBL1173214 0.66 KMT2A (0.46) AGBL2KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19031887 0.66 KIF11 (0.44) KMT2APPARAKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders MERCK SHARP & DOHME CORP. (US) 2021-02-23 — — US disclosed
US-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2019-09-19 — — US disclosed
US-9822130-B2 Triazolo-pyrazinyl derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-11-21 — — US disclosed
US-20170073355-A2 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 — — US disclosed
US-20160145272-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — 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 (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-20170073355-A2 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PDE2A, PDE3B AGBL2 2494/4885KMT2A 4660/4885PPARG 352/4885
US-20160145272-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PDE2A, PDE3B AGBL2 2494/4885KMT2A 4660/4885PPARG 352/4885
US-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS GUCY1B1, GUCY1A1, GUCY1A2 AGBL2 1725/4885KMT2A 4085/4885PPARG 83/4885
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders GUCY1B1, GUCY1A1, GUCY1A2 AGBL2 1725/4885KMT2A 4085/4885PPARG 83/4885

“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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