SCHEMBL5000751

SCHEMBL5000751

c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
MTOR P42345 20/20 1.00
AURKB Q96GD4 1/20 1.00
PIK3CD O00329 1/20 0.66
PIK3CB P42338 1/20 0.66
PIK3CG P48736 1/20 0.62

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
SCHEMBL29561235 1.00 PIK3CA (1.00) PIK3CAMTORAURKBPIK3CDPIK3CB
SCHEMBL29350061 1.00 PIK3CA (1.00) PIK3CAMTORAURKBPIK3CDPIK3CB
SCHEMBL54844 0.90 PIK3CA (0.82) PIK3CAMTORAURKBPIK3CDPIK3CB
SCHEMBL4992146 0.88 PIK3CA (0.80) PIK3CAMTORAURKBPIK3CG
SCHEMBL4995368 0.88 PIK3CA (0.80) PIK3CAMTORAURKBPIK3CG
SCHEMBL3985818 0.87 PIK3CA (0.86) PIK3CAMTORAURKBPIK3CG
SCHEMBL20553524 0.85 PIK3CA (0.74) PIK3CAMTORAURKBPIK3CDPIK3CB
SCHEMBL25678163 0.85 PIK3CA (0.74) PIK3CAMTORAURKBPIK3CDPIK3CB
SCHEMBL3984934 0.85 PIK3CA (0.84) PIK3CAMTORAURKBPIK3CDPIK3CB
SCHEMBL4990800 0.85 PIK3CA (0.78) PIK3CAMTORAURKBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD (AU) 2021-12-09 US claimed
EP-3860575-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS Race Oncology Ltd. (AU) 2021-08-11 EP claimed
WO-2020072948-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD. (AU) 2020-04-09 WO 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
US-20250333479-A1 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2025-10-30 US disclosed
US-20250333480-A1 FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2025-10-30 US disclosed
US-12378302-B2 Fusion molecules and uses thereof FOUNDATION MEDICINE, INC. (US) 2025-08-05 US disclosed
US-20240360199-A1 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2024-10-31 US disclosed
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 EP disclosed
US-20230263781-A1 ANHYDROUS COMPOSITIONS OF mTOR INHIBITORS AND METHODS OF USE PALVELLA THERAPEUTICS, INC. (US) 2023-08-24 US disclosed
US-20140206678-A1 INHIBITORS OF MTOR KINASE AS ANTI -VIRAL AGENT KADMON CORPORATION, LLC (US) 2014-07-24 US disclosed
WO-2014071419-A2 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2014-05-08 WO disclosed
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
WO-2013019927-A1 IDENTIFICATION OF GENE EXPRESSION PROFILE AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-07 WO disclosed
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC 2011-10-20 US disclosed
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC 2011-10-20 US disclosed
WO-2011097333-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2011-08-11 WO disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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 (10 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-20230263781-A1 ANHYDROUS COMPOSITIONS OF mTOR INHIBITORS AND METHODS OF USE MTOR, RICTOR, RPTOR PIK3CA 14/4885MTOR 1/4885AURKB 2570/4885
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS STK11, STK16, STK10 PIK3CA 85/4885MTOR 11/4885AURKB 547/4885
US-20240360199-A1 NOVEL FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB PIK3CA 2528/4885MTOR 4823/4885AURKB 1682/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 PIK3CA 2400/4885MTOR 4582/4885AURKB 1940/4885
US-12378302-B2 Fusion molecules and uses thereof RPS27A, CD2BP2, FGB PIK3CA 2451/4885MTOR 4841/4885AURKB 1445/4885
US-20250333479-A1 NOVEL FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB PIK3CA 2528/4885MTOR 4823/4885AURKB 1682/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PIK3CA 2/4885MTOR 1/4885AURKB 868/4885
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS STK16, STK10, STK11 PIK3CA 195/4885MTOR 25/4885AURKB 691/4885
US-20140206678-A1 INHIBITORS OF MTOR KINASE AS ANTI -VIRAL AGENT EIF2AK2, EEF2K, EIF2AK4 PIK3CA 1130/4885MTOR 5/4885AURKB 1971/4885
US-20250333480-A1 FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB PIK3CA 2451/4885MTOR 4841/4885AURKB 1445/4885

“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.