SCHEMBL14227419

SCHEMBL14227419

O=[N+]([O-])c1cn(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.41
▸ TGFBR1 P36897 5/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ IDO1 P14902 4/20 0.37
▸ POLB P06746 3/20 0.36
▸ ACVR1B P36896 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MAP3K2 Q9Y2U5 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CDC7 O00311 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL16181704 0.91 TGFBR1 (0.41) CYP1A2TGFBR1CYP3A4IDO1ACVR1B
SCHEMBL12425353 0.85 TGFBR1 (0.42) CYP1A2TGFBR1CYP3A4IDO1ACVR1B
SCHEMBL12424693 0.85 TGFBR1 (0.42) CYP1A2TGFBR1CYP3A4IDO1ACVR1B
SCHEMBL12425345 0.84 TGFBR1 (0.42) CYP1A2TGFBR1CYP3A4IDO1ACVR1B
SCHEMBL12424675 0.82 TGFBR1 (0.44) CYP1A2TGFBR1CYP3A4IDO1ACVR1B
SCHEMBL3385827 0.80 POLB (0.41) TGFBR1IDO1POLBHTTSMN1; SMN2
SCHEMBL14227414 0.77 ALDH1A1 (0.45) TGFBR1CYP3A4POLBACVR1BHTT
SCHEMBL12424826 0.76 TGFBR1 (0.43) CYP1A2TGFBR1CYP3A4IDO1ACVR1B
SCHEMBL12426285 0.76 TGFBR1 (0.44) CYP1A2TGFBR1CYP3A4IDO1ACVR1B
SCHEMBL2295723 0.75 TGFBR1 (0.70) CYP1A2TGFBR1CYP3A4IDO1ACVR1B

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
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 — — EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 — — US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 — — 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 (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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D CYP1A2 1450/4885TGFBR1 3742/4885CYP3A4 828/4885

“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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