SCHEMBL31139983

SCHEMBL31139983

O=C1Cc2cc(NC(=O)c3cccc(C#Cc4ncccn4)c3)ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 2/20 0.45
CRBN Q96SW2 2/20 0.44
SMYD3 Q9H7B4 2/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
LRRK2 Q5S007 1/20 0.42
LCK P06239 1/20 0.41
TEK Q02763 1/20 0.41
HDAC3 O15379 1/20 0.41
ABL1 P00519 1/20 0.40
MAP4K1 Q92918 1/20 0.40
KIF11 P52732 1/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL31139953 0.91 MAP4K1 (0.50) TLK2CRBNLCKTEKHDAC3
SCHEMBL31139926 0.89 MAP4K1 (0.44) TLK2LCKTEKMAP4K1KIF11
SCHEMBL31139940 0.85 TRPV1 (0.46) TLK2SMYD3LCKTEKMAP4K1
SCHEMBL31139941 0.83 ROCK2 (0.49) CRBNSMYD3HDAC3MAP4K1ROCK2
SCHEMBL31139986 0.82 PLAU (0.53) TLK2LCKTEKABL1
SCHEMBL25241592 0.81 MAP4K1 (0.50) TLK2HDAC3MAP4K1ROCK2
SCHEMBL30563506 0.81 MAP4K1 (0.50) TLK2HDAC3MAP4K1ROCK2
SCHEMBL31139987 0.80 RAB9A (0.56) LCKTEK
SCHEMBL31139934 0.79 RAB9A (0.55)
SCHEMBL5842454 0.78 TLK2 (0.57) TLK2SMYD3LRRK2HDAC3MAP4K1

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 TLK2 1711/4885CRBN 2245/4885SMYD3 1620/4885

“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.