SCHEMBL21137109

SCHEMBL21137109

C[C@@]1(N)O[C@@H](c2csc3c(N)ncnc23)[C@H](N)[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.33
▸ LIMK1 P53667 3/20 0.31
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ CDK5 Q00535 2/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ CLK1 P49759 1/20 0.30
▸ CDC7 O00311 1/20 0.30
▸ PLK4 O00444 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ DYRK3 O43781 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ CHEK2 O96017 1/20 0.30
▸ PRKCG P05129 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ RET P07949 1/20 0.30
▸ ROS1 P08922 1/20 0.30
▸ PIM1 P11309 1/20 0.30

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
SCHEMBL21137371 0.84 HIF1A (0.34) HIF1AIRAK4
SCHEMBL21136375 0.83 HIF1A (0.31) HIF1A
SCHEMBL21137368 0.83 HIF1A (0.33) HIF1AIRAK4
SCHEMBL19644607 0.83 HIF1A (0.37) HIF1A
SCHEMBL19644648 0.80 HIF1A (0.35) HIF1A
SCHEMBL19644603 0.78 HIF1A (0.35) HIF1A
SCHEMBL19644598 0.77 HIF1A (0.34) HIF1A
SCHEMBL19644583 0.76 HIF1A (0.39) HIF1AIRAK4
SCHEMBL19962204 0.76 HIF1A (0.32) HIF1AIRAK4
SCHEMBL21137374 0.74 HIF1A (0.33) HIF1AIRAK4

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-20190194223-A1 THIENO[3,2-d]PYRIMIDINE, FURO[3,2-d]PYRIMIDINE, AND PYRROLO[3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2019-06-27 — — 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-20190194223-A1 THIENO[3,2-d]PYRIMIDINE, FURO[3,2-d]PYRIMIDINE, AND PYRROLO[3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS DPYD, TYMS, TYMP HIF1A 2400/4885LIMK1 4770/4885IRAK4 2655/4885

“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