SCHEMBL31139986

SCHEMBL31139986

O=C(Nc1ccc2c(c1)CCCN2)c1cccc(C#Cc2ncccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.53
PIR O00625 1/20 0.45
GSK3B P49841 1/20 0.45
HSF1 Q00613 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
NFKB1 P19838 2/20 0.43
HTT P42858 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
TLK2 Q86UE8 2/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
LCK P06239 1/20 0.41
TEK Q02763 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GRM5 P41594 3/20 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
SCHEMBL31139926 0.87 MAP4K1 (0.44) PLAUGSK3BNPC1RAB9ANFKB1
SCHEMBL31139987 0.86 RAB9A (0.56) PLAUNPC1RAB9ANFKB1HTT
SCHEMBL31139934 0.85 RAB9A (0.55) PLAUNPC1RAB9ANFKB1HTT
SCHEMBL31139953 0.85 MAP4K1 (0.50) TLK2LCKTEK
SCHEMBL31139983 0.82 TLK2 (0.45) TLK2LCKTEKABL1
SCHEMBL31139940 0.79 TRPV1 (0.46) TLK2LCKTEKPDGFRBKDR
SCHEMBL6984836 0.79 RAB9A (0.66) PLAUPIRGSK3BHSF1NPC1
SCHEMBL31139941 0.77 ROCK2 (0.49) PDGFRBKDR
SCHEMBL31139930 0.76 SYK (0.50) RAB9AKMT2AGRM5ABL1PDGFRB
SCHEMBL25241592 0.75 MAP4K1 (0.50) TLK2GRM5PDGFRBKDR

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
US-20240343707-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES SOUTHERN RESEARCH INSTITUTE 2024-10-17 US disclosed
WO-2024215771-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES SOUTHERN RESEARCH INSTITUTE (US) 2024-10-17 WO 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-20240343707-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES PRNP, PNP, ZC3HAV1 PLAU 3674/4885PIR 166/4885GSK3B 702/4885

“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.