SCHEMBL2095402

SCHEMBL2095402

CCOC(=O)c1cn(CC#Cc2ccccc2)c2nc(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
CYP2C9 P11712 1/20 0.41
ATP6V1B2 P21281 1/20 0.41
TBXA2R P21731 1/20 0.41
EDNRA P25101 1/20 0.41
TARBP2 Q15633 1/20 0.41
MAPK1 P28482 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GRM5 P41594 1/20 0.36
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
SCHEMBL2092655 0.82 KMT2A (0.51) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9687124 0.82 LMNA (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2091973 0.80 GNRHR (0.40) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9838562 0.79 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2094219 0.77 LMNA (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2092203 0.76 KMT2A (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9838674 0.75 LMNA (0.50) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2094103 0.75 DPP4 (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2092621 0.74 CHRM1 (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2093479 0.73 LMNA (0.45) 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 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 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.