SCHEMBL7103088

SCHEMBL7103088

Cc1c(-c2ccc(-c3ccccc3C#N)cc2)cnc(-c2cccc(C=NN)c2)c1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GABRA1 P14867 4/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA2 P47869 4/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
ESR2 Q92731 1/20 0.34
DGAT1 O75907 1/20 0.34
BTK Q06187 1/20 0.33
CDC7 O00311 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 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
SCHEMBL6164018 0.86 CDC7 (0.37) CTSAPSEN1PSEN2APH1BNCSTN
SCHEMBL6167430 0.84 ALDH1A1 (0.37) CTSAPSEN1PSEN2APH1BNCSTN
SCHEMBL6185415 0.79 CTSA (0.34) CTSAGABRA1GABRG2GABRB3GABRA2
SCHEMBL7103093 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6185417 0.78 CDC7 (0.36) CTSAPSEN1PSEN2APH1BNCSTN
SCHEMBL6167434 0.74 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6185405 0.74 CDC7 (0.37) CTSAPSEN1PSEN2APH1BNCSTN
SCHEMBL6164025 0.73 F10 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6184793 0.71 LMNA (0.33) CTSAJAK2F10HPGDLMNA
SCHEMBL6163106 0.69 ALOX5AP (0.40) F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI CTSA 636/4885PSEN1 4297/4885PSEN2 4676/4885

“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.