SCHEMBL17227576

SCHEMBL17227576

CCC(C)Cc1nc(C)no1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.37
▸ GPR88 Q9GZN0 1/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL12251323 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12904497 0.76 SIGMAR1 (0.42) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12904644 0.76 SIGMAR1 (0.42) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL20670512 0.75 SMN1; SMN2 (0.44) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL10153397 0.74 SMN1; SMN2 (0.41) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL10153401 0.74 SMN1; SMN2 (0.41) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12905011 0.74 MAPT (0.41) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12904929 0.74 MAPT (0.38) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12309 0.73 — —
SCHEMBL12888984 0.73 MAPT (0.40) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 — — US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 — — US disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 — — US disclosed
EP-2343299-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-11-04 — — EP 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 (3 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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF SMN1; SMN2 833/4885MAPT 1769/4885CYP2C9 3614/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS SMN1; SMN2 3555/4885MAPT 4169/4885CYP2C9 4867/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS SMN1; SMN2 3555/4885MAPT 4169/4885CYP2C9 4867/4885

“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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