SCHEMBL2094019

SCHEMBL2094019

CCc1c(F)c(N2C[C@@H]3C[C@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2Cc1ccc(OC)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.36
NTRK1 P04629 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
MAP4K2 Q12851 1/20 0.36
STK4 Q13043 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM1 P11229 2/20 0.34
P2RX7 Q99572 4/20 0.34
BTK Q06187 1/20 0.34
DPP4 P27487 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL2095535 0.88 HRH4 (0.38) MAP4K1NTRK1HRH4MAP4K2STK4
SCHEMBL2095977 0.86 DPP4 (0.43) MAP4K1NTRK1HRH4MAP4K2STK4
SCHEMBL2093636 0.86 HRH4 (0.38) MAP4K1NTRK1HRH4MAP4K2STK4
SCHEMBL2091973 0.81 GNRHR (0.40) MAP4K1NTRK1HRH4P2RX7DPP4
SCHEMBL2092907 0.81 CHRM1 (0.37) MAP4K1NTRK1HRH4ALDH1A1TSHR
SCHEMBL2094103 0.78 DPP4 (0.48) MAP4K1NTRK1MAP4K2STK4ALDH1A1
SCHEMBL2094205 0.77 SUV39H2 (0.40)
SCHEMBL2092621 0.76 CHRM1 (0.48) CHRM1DPP4
SCHEMBL2095372 0.75 DPP4 (0.46) MAP4K1NTRK1MAP4K2STK4ALDH1A1
SCHEMBL2092554 0.73 KMT2A (0.40) ALDH1A1TSHRKDM4EHPGDRAB9A

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 MAP4K1 2214/4885NTRK1 4841/4885HRH4 3362/4885

“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.