SCHEMBL9929200

SCHEMBL9929200

CCOc1c(C(C)=O)cc(Cl)c(C#N)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.38
HTT P42858 3/20 0.38
ALOX15 P16050 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
MAPK10 P53779 1/20 0.36
MAP4K2 Q12851 1/20 0.36
PKN2 Q16513 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
STK17A Q9UEE5 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 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
SCHEMBL19156274 0.85 CYP3A4 (0.40) TSHRCYP3A4HTTALOX15POLB
SCHEMBL14736029 0.85 RAB9A (0.35) HTTMAPK8MAPK9ALDH1A1MAPT
SCHEMBL9928928 0.84 CYP3A4 (0.39) TSHRCYP3A4THRBHTTALOX15
SCHEMBL14736331 0.82 CYP3A4 (0.37) TSHRCYP3A4THRBHTTALOX15
SCHEMBL14736146 0.80 TSHR (0.42) TSHRCYP3A4THRBHTTLMNA
SCHEMBL28048048 0.79 KDM4E (0.43) TSHRCYP3A4THRBHTTALOX15
SCHEMBL14736216 0.78 L3MBTL1 (0.42) TSHRCYP3A4HTTALOX15POLB
SCHEMBL14742371 0.77 PIK3CD (0.39) TSHRCYP3A4HTTALOX15POLB
SCHEMBL14736127 0.77 POLB (0.33) CYP3A4THRBHTTALOX15POLB
SCHEMBL14742217 0.76 CYP1A2 (0.34) CYP3A4THRBHTTALOX15POLB

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325550-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORP (US) 2025-10-23 US disclosed
US-20250289823-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3K-DELTA RELATED DISORDERS INCYTE CORPORATION 2025-09-18 US disclosed
EP-3888657-B1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2025-03-19 EP disclosed
US-12201636-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2025-01-21 US disclosed
US-12152033-B2 Use of pyrazolopyrimidine derivatives for the treatment of PI3K-δ related disorders INCYTE CORPORATION (US) 2024-11-26 US disclosed
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
WO-2014134426-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3Kδ RELATED DISORDERS INCYTE CORPORATION (US) 2014-09-04 WO disclosed
CN-104024253-A Heterocyclic amines as PI3K inhibitors INCYTE CORP 2014-09-03 CN disclosed
EP-2751109-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Corporation (US) 2014-07-09 EP disclosed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2013033569-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 WO disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO 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 (8 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-20250325550-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB TSHR 3486/4885CYP3A4 1390/4885THRB 2695/4885
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB TSHR 3968/4885CYP3A4 4255/4885THRB 1916/4885
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB TSHR 3486/4885CYP3A4 1390/4885THRB 2695/4885
US-12152033-B2 Use of pyrazolopyrimidine derivatives for the treatment of PI3K-δ related disorders PIK3CD, PIK3CA, PIK3R5 TSHR 2873/4885CYP3A4 2064/4885THRB 392/4885
US-11819505-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB TSHR 3486/4885CYP3A4 1390/4885THRB 2695/4885
US-20250289823-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3K-DELTA RELATED DISORDERS PIK3CD, PIK3CA, PIK3CB TSHR 3230/4885CYP3A4 1879/4885THRB 430/4885
US-12201636-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB TSHR 3486/4885CYP3A4 1390/4885THRB 2695/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB TSHR 3486/4885CYP3A4 1390/4885THRB 2695/4885

“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.