SCHEMBL31139934

SCHEMBL31139934

O=C(Nc1ccc2c(c1)CCCCC2)c1cccc(C#Cc2ncccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.55
NPC1 O15118 10/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
NFKB1 P19838 4/20 0.55
NFKB2 Q00653 4/20 0.55
RELA Q04206 4/20 0.55
HTT P42858 3/20 0.55
KMT2A Q03164 3/20 0.55
TP53 P04637 3/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LY96 Q9Y6Y9 1/20 0.46
LMNA P02545 3/20 0.46
MAPK14 Q16539 2/20 0.44
TMPRSS2 O15393 1/20 0.44
PLAU P00749 1/20 0.44

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
SCHEMBL31139987 0.99 RAB9A (0.56) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL31139986 0.85 PLAU (0.53) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL31139926 0.83 MAP4K1 (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL31139953 0.81 MAP4K1 (0.50)
SCHEMBL31139940 0.81 TRPV1 (0.46)
SCHEMBL31139980 0.80 NPC1 (0.59) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL31139983 0.79 TLK2 (0.45)
SCHEMBL31139930 0.79 SYK (0.50) RAB9AKMT2AMEN1MAPK14
SCHEMBL31139975 0.76 GRM5 (0.63) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL31139927 0.76 TRPV1 (0.56) TP53

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 RAB9A 967/4885NPC1 1306/4885SMN1; SMN2 2989/4885

“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.