SCHEMBL19119846

SCHEMBL19119846

COc1[nH]nc(C)c1C#Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.45
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ CYP1A2 P05177 3/20 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
SCHEMBL19120318 0.82 GRM5 (0.50) GRM5KCNH2CYP1A2
SCHEMBL19120416 0.77 GRM5 (0.46) GRM5TDP1L3MBTL1KCNH2CYP1A2
SCHEMBL19120270 0.76 GRM5 (0.44) GRM5TDP1L3MBTL1KCNH2CYP1A2
SCHEMBL19120571 0.74 GRM5 (0.42) GRM5KCNH2CYP1A2
Methyl Alcohol SCHEMBL28902013 0.70 GRM5 (0.67) GRM5L3MBTL1KCNH2CYP1A2
SCHEMBL352291 0.70 GRM5 (0.65) GRM5TDP1KCNH2CYP1A2
SCHEMBL27996721 0.67 GRM5 (0.53) GRM5KCNH2CYP1A2
SCHEMBL704827 0.66 GRM5 (0.68) GRM5TDP1L3MBTL1KCNH2
SCHEMBL20623471 0.66 — —
SCHEMBL17347505 0.66 ADK (0.49) GRM5KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941132-B2 Pyrazole derivatives HUA MEDICINE (SHANGHAI) LTD. (CN) 2021-03-09 — — US disclosed
US-20190002432-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2019-01-03 — — US disclosed
WO-2017117708-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2017-07-13 — — 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 (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-10941132-B2 Pyrazole derivatives GRM5, GRIK5, GRIN2C GRM5 1/4885TDP1 2361/4885L3MBTL1 3222/4885
US-20190002432-A1 PYRAZOLE DERIVATIVES GRM5, GRIK5, GRIN2C GRM5 1/4885TDP1 2361/4885L3MBTL1 3222/4885

“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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