SCHEMBL6503335

SCHEMBL6503335

[CH2]c1ccc(C(=N)N)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.41
PRSS3 P35030 3/20 0.41
PRSS2 P07478 2/20 0.41
F10 P00742 1/20 0.40
F2 P00734 6/20 0.40
PLAU P00749 4/20 0.40
PLG P00747 3/20 0.40
KLK1 P06870 2/20 0.40
KLKB1 P03952 1/20 0.40
F12 P00748 1/20 0.39
LMNA P02545 2/20 0.38
MASP2 O00187 1/20 0.38
THPO P40225 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.36
APEX1 P27695 1/20 0.36
ST14 Q9Y5Y6 2/20 0.36
C1S P09871 1/20 0.36
PLAT P00750 1/20 0.36
PRMT5 O14744 1/20 0.35
PRMT1 Q99873 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
SCHEMBL4875325 0.79 PRSS1 (0.42) PRSS1PRSS3PRSS2F10F2
SCHEMBL19479019 0.79 MAPT (0.46) PRSS1PRSS3PRSS2F10F2
Hydrochloric Acid SCHEMBL28325793 0.78 MAPT (0.45) PRSS1PRSS3PRSS2F10F2
SCHEMBL14099337 0.77 KIF11 (0.49) PRSS1PRSS3PRSS2F10F2
SCHEMBL28171232 0.77 F12 (0.46) PRSS1PRSS3PRSS2F10F2
SCHEMBL17803175 0.76 LMNA (0.45) PRSS1PRSS3PRSS2F10F2
SCHEMBL6304560 0.76 RXRA (0.44)
Hydrochloric Acid SCHEMBL5125320 0.76 KIF11 (0.47) PRSS1PRSS3PRSS2F10F2
SCHEMBL5846030 0.75 PRSS1 (0.45) PRSS1PRSS3PRSS2F10F2
Hydrochloric Acid SCHEMBL28158007 0.74 LMNA (0.48) PRSS1PRSS3PRSS2F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO claimed
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 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-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT PRSS1 8/4885PRSS3 26/4885PRSS2 45/4885

“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.