SCHEMBL19249160

SCHEMBL19249160

CCc1nc(C#N)ccc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ NQO1 P15559 1/20 0.33
▸ PANK3 Q9H999 2/20 0.32
▸ SOS2 Q07890 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2A6 P11509 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
SCHEMBL19301849 0.79 HTR2A (0.34) CAMKK2PANK3
SCHEMBL26081486 0.76 CAMKK2 (0.33) CAMKK2NQO1PANK3SOS2ALDH1A1
SCHEMBL13515892 0.76 NQO1 (0.36) CAMKK2NQO1PANK3SOS2
SCHEMBL18368362 0.76 EGLN2 (0.37) KDM5ACAMKK2NQO1PANK3SOS2
SCHEMBL24141592 0.76 MEN1 (0.41) NQO1SOS2KDM4EHSD17B10ALDH1A1
SCHEMBL14349193 0.75 KDM4E (0.46) KDM4EHSD17B10ALDH1A1
SCHEMBL22135837 0.74 CAMKK2 (0.35) CAMKK2NQO1PANK3SOS2KDM4E
SCHEMBL17033298 0.74 EGLN2 (0.38) NQO1SOS2KDM4EHSD17B10ALDH1A1
SCHEMBL25738865 0.74 KDM4E (0.40) NQO1SOS2KDM4EHSD17B10ALDH1A1
SCHEMBL23970899 0.73 PARP1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-25 — — US disclosed
US-20170233405-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-08-17 — — 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 (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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF PTH1R, CALCR, VDR KDM5A 4713/4885CAMKK2 603/4885NQO1 3867/4885
US-20170233405-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 KDM5A 3462/4885CAMKK2 1912/4885NQO1 2395/4885

“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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