SCHEMBL21389736

SCHEMBL21389736

CCC(C)(CC)c1ccc2nc(N)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.50
MAPT P10636 5/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
LCK P06239 1/20 0.39
ELANE P08246 1/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1G2 P78368 1/20 0.36
KDM4E B2RXH2 5/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
USP2 O75604 1/20 0.35
MAPK10 P53779 1/20 0.35
GFER P55789 1/20 0.35
MTOR P42345 4/20 0.34
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL19727247 0.88 PIK3CG (0.50) PIK3CGMAPTLMNACYP1A2THRB
SCHEMBL179511 0.83 PIK3CG (0.56) PIK3CGMAPTLMNACYP1A2THRB
SCHEMBL14131 0.77 PIK3CG (0.56) PIK3CGMAPTLMNACYP1A2THRB
SCHEMBL13510329 0.75 MAPT (0.50) PIK3CGMAPTLMNACYP1A2THRB
SCHEMBL18174915 0.74 F2RL3 (0.38) MAPTLMNAMAPK1CSNK1DCSNK1G2
SCHEMBL9895356 0.74 PIK3CG (0.45) PIK3CGMAPTLMNACYP1A2THRB
SCHEMBL253529 0.73 PIK3CG (0.56) PIK3CGMAPTLMNACYP1A2THRB
SCHEMBL23582354 0.73 LCK (0.45) PIK3CGMAPTLMNACYP1A2THRB
SCHEMBL18174921 0.71 SMN1; SMN2 (0.43) MAPTLMNACYP1A2MAPK1ELANE
SCHEMBL557792 0.71 PIK3CG (0.61) PIK3CGMAPTLMNACYP1A2THRB

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-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 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-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CG 2/4885MAPT 1903/4885LMNA 1475/4885

“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.