SCHEMBL9929246

SCHEMBL9929246

CCOc1c(C(C)N(C(=O)O)C(C)(C)C)cc(Cl)c(F)c1I

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
ABL1 P00519 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
RIN1 Q13671 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL17138433 0.76 ALDH1A1 (0.36) LMNAHTTALDH1A1HPGDMEN1
SCHEMBL20254981 0.76 PDE2A (0.36) LMNAHTTALDH1A1HPGDMEN1
SCHEMBL29688185 0.76 PDE2A (0.36) LMNAHTTALDH1A1HPGDMEN1
SCHEMBL9952882 0.75 PIK3CD (0.36) CYP2C9
SCHEMBL9929078 0.75 HTT (0.34) LMNAHTTMEN1KMT2ATHRB
SCHEMBL9953839 0.74 LMNA (0.39) LMNAHTTALDH1A1HPGDMEN1
SCHEMBL9928712 0.73 LMNA (0.34) LMNAHTTALDH1A1CYP1A2CYP3A4
SCHEMBL17458600 0.70 CYP3A4 (0.32) LMNAHTTCYP3A4
SCHEMBL9929183 0.70 CYP3A4 (0.41) LMNAHTTALDH1A1HPGDMEN1
SCHEMBL28114021 0.69 LMNA (0.38) LMNAHTTALDH1A1HPGDMEN1

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-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 US disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB LMNA 3738/4885HTT 2166/4885ALDH1A1 3828/4885

“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.