SCHEMBL17343116

SCHEMBL17343116

CC(C)c1nc(N)nc(N)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.34
▸ DHFR P00374 5/20 0.33
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GHSR Q92847 1/20 0.31

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
SCHEMBL10399442 0.74 DHFR (0.34) SLC2A1DHFRCDK1CCNB1CCNE1
SCHEMBL11443982 0.73 ADORA2A (0.37) —
SCHEMBL12368246 0.70 HEXA (0.58) DHFRGHSR
SCHEMBL17342568 0.69 TLR8 (0.44) SLC2A1DHFR
SCHEMBL17343117 0.68 KDM4E (0.40) CDK2
SCHEMBL5491792 0.67 TDP1 (0.38) CDK2
SCHEMBL602820 0.67 ALDH1A1 (0.34) DHFRGHSR
SCHEMBL20782341 0.67 ADORA2A (0.35) —
SCHEMBL18874069 0.66 HTT (0.50) —
SCHEMBL9287273 0.66 GCGR (0.38) —

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
EP-3154969-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-10-09 — — EP disclosed
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 — — 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-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CD SLC2A1 1644/4885DHFR 3505/4885CDK1 49/4885

“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