SCHEMBL14270967

SCHEMBL14270967

COc1ccc(-c2nn(C(C)C)nc2-c2ccsc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ PDGFRB P09619 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ SRC P12931 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL14294732 0.84 KDR (0.44) KDRFLT1FLT4GAAGABRA1
SCHEMBL8221922 0.84 GABRA1 (0.46) KDRFLT1FLT4GAAGABRA1
SCHEMBL13509082 0.82 CYP2A6 (0.48) GAACYP2A6
SCHEMBL13509150 0.80 KDM4E (0.56) KDRNPC1RAB9ASRCPIK3CD
SCHEMBL14270981 0.79 SRC (0.43) KDRNPC1RAB9ASRCPIK3CD
SCHEMBL13509035 0.78 PDE10A (0.51) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL10045002 0.77 GABRA1 (0.42) KDRGAAGABRA1GABRG2GABRB3
SCHEMBL2780033 0.74 CYP2A6 (0.55) KDRFLT1FLT4GABRA1GABRG2
SCHEMBL13509026 0.72 LMNA (0.48) KDRGAAGABRG2GABRB3GABRA5
SCHEMBL14271022 0.71 KMT2A (0.42) KDRGAARAB9ASRCPIK3CD

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-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — 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-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC KDR 4728/4885FLT1 4486/4885FLT4 4255/4885

“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.

Send feedback