SCHEMBL31437084

SCHEMBL31437084

c1cnccnccnccnccnccnccnccnccnccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNA1 Q09470 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSD P07339 1/20 0.33
DDAH1 O94760 1/20 0.33
NOS1 P29475 1/20 0.33
NOTUM Q6P988 1/20 0.31

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
Pyrazine SCHEMBL1226089 1.00 TSHR (0.50) TSHRNAPRTTDP1LMNAMAPT
Pyrazine SCHEMBL5179 1.00
Pyrazine SCHEMBL4020461 0.93
Pyrazine SCHEMBL10496031 0.93
Pyrazine SCHEMBL5548201 0.93 TSHR (0.46) TSHRNAPRTTDP1LMNAMAPT
Pyrazine SCHEMBL940753 0.93
Pyrazine SCHEMBL8535297 0.93
Pyrazine SCHEMBL21647787 0.93
Pyrazine SCHEMBL21176400 0.93
Pyrazine SCHEMBL11336378 0.93

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-20250090699-A1 FAP TARGETING CYCLIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2025-03-20 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-20250090699-A1 FAP TARGETING CYCLIC PEPTIDES AND CONJUGATES THEREOF FAP, FIBP, FGF23 TSHR 1413/4885NAPRT 1182/4885TDP1 1622/4885

“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.