SCHEMBL19961602

SCHEMBL19961602

c1ccc2c(c1)ccc1c2c2sc3ccccc3c2c2c1c1ccccc1n2-c1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.30
PIK3CB P42338 2/20 0.30
PRKDC P78527 2/20 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
SCHEMBL22199894 0.90 PIK3CD (0.33) PIK3CDPIK3CBPRKDC
SCHEMBL19961577 0.89
SCHEMBL22012044 0.87
SCHEMBL19986034 0.85 PIK3CD (0.31) PIK3CDPIK3CBPRKDC
SCHEMBL19961575 0.85 ADORA2A (0.38)
SCHEMBL17299455 0.84 PRKDC (0.33) PIK3CDPIK3CBPRKDC
SCHEMBL19961580 0.83 ALDH1A1 (0.39)
SCHEMBL22662507 0.83 PRKDC (0.33) PIK3CDPIK3CBPRKDC
SCHEMBL22708813 0.83 PRKDC (0.33) PIK3CDPIK3CBPRKDC
SCHEMBL14756493 0.83 ALOX5 (0.32) PIK3CDPIK3CBPRKDC

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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 US disclosed
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, CRY1, NR2E3 PIK3CD 4538/4885PIK3CB 4674/4885PRKDC 4649/4885

“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.