SCHEMBL2094581

SCHEMBL2094581

CCOC(=O)c1cn(CCC#N)c2nc(N3CC(O)C(NCc4ccccc4)C3)c(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
CYP2C9 P11712 1/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
DPP4 P27487 3/20 0.37
P2RY12 Q9H244 4/20 0.37
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GNRHR P30968 1/20 0.35
HPGD P15428 3/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 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
SCHEMBL2085531 0.84 CYP2C9 (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2095698 0.84 LMNA (0.42) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2092919 0.83 GNRHR (0.47) DPP4GNRHRMAPT
SCHEMBL2094211 0.80 LMNA (0.51) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2090963 0.78 CYP2C9 (0.40) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2092892 0.75 KMT2A (0.47) LMNACYP2C9MAPK1TSHRALDH1A1
SCHEMBL2095506 0.75 DPP4 (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2094400 0.74 LMNA (0.42) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2092655 0.73 KMT2A (0.51) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2092158 0.71 ADORA2A (0.40) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 LMNA 2661/4885CYP2C9 45/4885ATP6V1B2 3687/4885

“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.