SCHEMBL16432722

SCHEMBL16432722

CCC1(C)Nc2cnccc2C=C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 8/20 0.39
▸ KDM6B O15054 5/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.33
▸ FPR2 P25090 2/20 0.32
▸ HCAR3 P49019 2/20 0.31
▸ CCNC P24863 3/20 0.31
▸ CDK8 P49336 3/20 0.31
▸ HASPIN Q8TF76 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ KDM4A O75164 2/20 0.30
▸ KDM4D Q6B0I6 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ CDK19 Q9BWU1 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
SCHEMBL27791683 0.66 KDM4C (0.37) KDM4CKDM6BHCAR2HCAR3L3MBTL1
SCHEMBL30763949 0.60 CCNC (0.35) KDM4CKDM6BHCAR2HCAR3CCNC
SCHEMBL30440354 0.60 KDM4C (0.36) KDM4CKDM6BHCAR2HCAR3L3MBTL1
SCHEMBL8366169 0.60 KDM4C (0.36) KDM4CKDM6BHCAR2HCAR3L3MBTL1
SCHEMBL30539758 0.59 SIRT3 (0.38) KDM4CKDM6BCCNCCDK8HASPIN
SCHEMBL5090090 0.59 KDM4C (0.31) KDM4CKDM6BKDM4EALDH1A1MAPT
SCHEMBL15295165 0.56 KDM4C (1.00) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL115648 0.56 KDM4C (0.56) KDM4CKDM6BL3MBTL1KDM4EKDM4A
SCHEMBL30465694 0.56 KDM4C (0.51) KDM4CKDM6BL3MBTL1KDM4EKDM4A
SCHEMBL30100781 0.56 KDM4C (0.56) KDM4CKDM6BL3MBTL1KDM4EKDM4A

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-9688675-B2 1,7-naphthyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-06-27 — — US disclosed
EP-3027597-B1 1,7-NAPHTHYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-05-03 — — EP disclosed
EP-3027597-A1 1,7-NAPHTHYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-06-08 — — EP disclosed
US-20160137643-A1 1,7-NAPHTHYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-05-19 — — US disclosed
WO-2015014768-A1 1,7-NAPHTHYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-02-05 — — 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 (1 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-20160137643-A1 1,7-NAPHTHYRIDINE DERIVATIVES DRD2, DRD4, DRD1 KDM4C 4556/4885KDM6B 4808/4885HCAR2 3135/4885

“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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