SCHEMBL2091973

SCHEMBL2091973

CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 8/20 0.40
MAPT P10636 1/20 0.38
P2RX7 Q99572 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
ATP6V1B2 P21281 1/20 0.38
TBXA2R P21731 1/20 0.38
EDNRA P25101 1/20 0.38
TARBP2 Q15633 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
DPP4 P27487 2/20 0.37
NTRK1 P04629 1/20 0.37
MAP4K1 Q92918 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL2095977 0.92 DPP4 (0.43) MAPTLMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2094103 0.84 DPP4 (0.48) MAPTLMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2092595 0.83 GNRHR (0.38) GNRHRMAPTP2RX7TP53POLB
SCHEMBL2093477 0.83 LMNA (0.46) GNRHRMAPTP2RX7LMNACYP2C9
SCHEMBL2095363 0.83 LMNA (0.46) GNRHRMAPTP2RX7LMNACYP2C9
SCHEMBL2092621 0.82 CHRM1 (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2095372 0.81 DPP4 (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2092590 0.81 GNRHR (0.50) GNRHRMAPTP2RX7TP53POLB
SCHEMBL2092907 0.81 CHRM1 (0.37) MAPTLMNAEDNRATP53DPP4
SCHEMBL2095535 0.81 HRH4 (0.38) GNRHRTP53POLBNTRK1MAP4K1

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
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US 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 GNRHR 4352/4885MAPT 4388/4885P2RX7 2480/4885

“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.