SCHEMBL6876328

SCHEMBL6876328

Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 1.00
MTOR P42345 8/20 1.00
PIK3CD O00329 1/20 1.00
PIK3C2A O00443 1/20 1.00
PIK3C2B O00750 1/20 1.00
PIK3R1 P27986 1/20 1.00
PIK3CB P42338 1/20 1.00
PIK3CG P48736 1/20 1.00
PRKDC P78527 1/20 1.00
ATM Q13315 1/20 1.00
ATR Q13535 1/20 1.00
RPTOR Q8N122 1/20 1.00
PIK3C3 Q8NEB9 1/20 1.00
MLST8 Q9BVC4 1/20 1.00
MKNK2 Q9HBH9 1/20 1.00
PI4KB Q9UBF8 1/20 1.00
BLK P51451 3/20 0.64
BMX P51813 3/20 0.64
JAK3 P52333 3/20 0.64
BTK Q06187 3/20 0.64

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
SCHEMBL29352777 1.00 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL30214466 1.00 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16730901 0.91 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16719230 0.90 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL18045499 0.90 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16730996 0.90 PIK3CA (0.81) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16730997 0.90 PIK3CA (0.81) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL22606989 0.90 PIK3CA (0.81) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL21552722 0.89 MTOR (0.80) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL30925813 0.89 MTOR (0.80) PIK3CAMTORPIK3CDPIK3C2APIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11471462-B2 Compositions and methods for detecting and treating diabetes THE BROAD INSTITUTE, INC. (US) 2022-10-18 US claimed
EP-4729121-A2 NOVEL COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING DERMAL DISORDERS Drexel University (US) 2026-04-22 EP disclosed
EP-3352755-B1 TOPICAL COMPOSITION COMPRISING RAPAMYCIN FOR USE IN TREATING OR PREVENTING SEBORRHEIC KERATOSIS OR ACTINIC KERATOSIS UNIV DREXEL (US) 2025-12-24 EP disclosed
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
WO-2024076670-A2 TETHERED HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
US-20230263781-A1 ANHYDROUS COMPOSITIONS OF mTOR INHIBITORS AND METHODS OF USE PALVELLA THERAPEUTICS, INC. (US) 2023-08-24 US disclosed
US-20230263781-A1 ANHYDROUS COMPOSITIONS OF mTOR INHIBITORS AND METHODS OF USE PALVELLA THERAPEUTICS, INC. (US) 2023-08-24 US disclosed
US-11679101-B2 Anhydrous compositions of mTOR inhibitors and methods of use PALVELLA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-11679101-B2 Anhydrous compositions of mTOR inhibitors and methods of use PALVELLA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2023-05-18 US disclosed
US-8394818-B2 Soluble mTOR complexes and modulators thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-12 US disclosed
US-8394818-B2 Soluble mTOR complexes and modulators thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-12 US disclosed
WO-2012167606-A1 PYRIDONAPHTHYRIDINE PI3K/MTOR DUAL INHIBITORS AND PREPARATION AND USE THEREOF 山东亨利医药科技有限责任公司 (CN) 2012-12-13 WO disclosed
WO-2012167606-A1 PYRIDONAPHTHYRIDINE PI3K/MTOR DUAL INHIBITORS AND PREPARATION AND USE THEREOF 山东亨利医药科技有限责任公司 (CN) 2012-12-13 WO disclosed
US-20120190676-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS MOORMAN NATHANIEL (US) 2012-07-26 US disclosed
US-20120190676-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS MOORMAN NATHANIEL (US) 2012-07-26 US disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
WO-2011011716-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2011-01-27 WO disclosed
WO-2010044885-A2 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2010-04-22 WO 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 (6 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-20120190676-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 PIK3CA 501/4885MTOR 2/4885PIK3CD 459/4885
US-20230263781-A1 ANHYDROUS COMPOSITIONS OF mTOR INHIBITORS AND METHODS OF USE MTOR, RICTOR, RPTOR PIK3CA 14/4885MTOR 1/4885PIK3CD 59/4885
US-11679101-B2 Anhydrous compositions of mTOR inhibitors and methods of use MTOR, RICTOR, RPTOR PIK3CA 14/4885MTOR 1/4885PIK3CD 59/4885
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO EPCAM, FABP2, TPMT PIK3CA 4614/4885MTOR 1975/4885PIK3CD 3926/4885
US-11471462-B2 Compositions and methods for detecting and treating diabetes SLC2A2, SLC2A1, SLC5A2 PIK3CA 3008/4885MTOR 3599/4885PIK3CD 3504/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR PIK3CA 36/4885MTOR 1/4885PIK3CD 24/4885

“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.