SCHEMBL693689

SCHEMBL693689

O=C(O)N1CCc2ncc(Cl)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.39
HSP90AA1 P07900 1/20 0.39
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 1/20 0.37
PTGS1 P23219 1/20 0.37
GRM5 P41594 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
SPR P35270 1/20 0.35

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
SCHEMBL16592794 0.87 NOTUM (0.46) HSP90AB1HSP90AA1CCR2KCNH2FNTA
SCHEMBL21465759 0.86 HSP90AB1 (0.40) HSP90AB1HSP90AA1HPGDPTGS1
SCHEMBL12004429 0.82 PTGS1 (0.40) HSP90AB1HSP90AA1CCR2KCNH2PTGS1
SCHEMBL723952 0.82 ABHD6 (0.49) HSP90AA1CCR2KCNH2HPGDPTGS1
SCHEMBL7878257 0.80 FNTA (0.46) HSP90AB1HSP90AA1CCR2KCNH2HPGD
SCHEMBL29883147 0.80 ESR2 (0.55) CCR2KCNH2MEN1KMT2AFNTA
SCHEMBL2679894 0.80 ESR2 (0.55) CCR2KCNH2MEN1KMT2AFNTA
SCHEMBL28005866 0.78 CCR2 (0.51) CCR2KCNH2
SCHEMBL14863290 0.77 CCR2 (0.42) CCR2HPGDMEN1KMT2AFNTA
SCHEMBL29249322 0.77 PTGS1 (0.46) HSP90AB1HSP90AA1HPGDPTGS1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880866-B Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-09-27 CN disclosed
CN-113880866-A Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-01-04 CN disclosed
CN-103119035-B Heterogeneous ring compound and they are as the purposes of GSK-3 inhibitor ABBOTT GMBH & CO.KG (DE) 2015-09-30 CN disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
EP-2421863-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch AS (DK) 2012-02-29 EP disclosed
WO-2010122064-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-10-28 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-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE KCNQ1, KCNQ2, KCNQ5 HSP90AB1 2393/4885HSP90AA1 2922/4885CCR2 4807/4885

“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.