SCHEMBL168084

SCHEMBL168084

c1ccc(Nc2ncnc3[nH]ccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 16/20 1.00
TTBK2 Q6IQ55 16/20 1.00
EGFR P00533 5/20 0.71
AURKB Q96GD4 5/20 0.71
INCENP Q9NQS7 2/20 0.71
AURKA O14965 1/20 0.68

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
SCHEMBL24881266 0.87 TTBK1 (1.00) TTBK1TTBK2EGFRAURKB
SCHEMBL30122999 0.84 TTBK1 (1.00) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL24881294 0.84 TTBK1 (1.00) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL26784587 0.84 AURKB (1.00) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL16363320 0.83 TTBK1 (0.84) TTBK1TTBK2
SCHEMBL26784731 0.83 TTBK1 (0.70) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL24882302 0.82 TTBK1 (1.00) TTBK1TTBK2EGFRAURKB
SCHEMBL26785533 0.82 AURKB (1.00) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL26786572 0.82 EGFR (1.00) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL4741057 0.82 TTBK1 (0.71) TTBK1TTBK2EGFRAURKBINCENP

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 1475 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070184055-A1 TREATMENT WITH ANTI-ERBB2 ANTIBODIES GENENTECH, INC. 2007-08-09 US claimed
WO-2005037259-A2 METHODS AND COMPOSITIONS FOR THE PREVENTION OR TREATMENT OF NEOPLASIA COMPRISING A COX-2 INHIBITOR IN COMBINATION WITH AN EPIDERMAL GROWTH FACTOR RECEPTOR ANTAGONIST PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
US-20040127470-A1 Methods and compositions for the prevention or treatment of neoplasia comprising a Cox-2 inhibitor in combination with an epidermal growth factor receptor antagonist PHARMACIA CORPORATION (US) 2004-07-01 US claimed
US-20030086924-A1 Treatment with anti-ErbB2 antibodies GENENTECH, INC. 2003-05-08 US claimed
US-20250339433-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION, ALLEVIATION, OR TREATMENT OF CANCER JBKLAB CO.,LTD. (KR) 2025-11-06 US disclosed
CN-119856056-A Methods for determining the efficacy of lung cancer treatment comprising anti-PD-L1 antagonists and anti-TIGHT antagonist antibodies 基因泰克公司 2025-04-18 CN disclosed
CN-119768401-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-04-04 CN disclosed
CN-113999249-B Methods for preparing tricyclic PI3K inhibitor compounds and methods of treating cancer using the same 基因泰克公司 2025-03-25 CN disclosed
CN-119698413-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-25 CN disclosed
CN-119677843-A Novel inhibitors of histone methyltransferase nuclear localization 昆士兰医学研究所理事会 2025-03-21 CN disclosed
CN-119661711-A CD8 binding agents and uses thereof 豪夫迈·罗氏有限公司 2025-03-21 CN disclosed
CN-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 CN disclosed
US-6395733-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS PFIZER INC 2002-05-28 US disclosed
WO-2002005842-A2 PREVENTING AIRWAY MUCUS PRODUCTION BY ADMINISTRATION OF EGF-R ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-01-24 WO disclosed
US-20010041178-A1 Preventing airway mucus production by administration of EGF-R antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-11-15 US disclosed
US-20010036919-A1 Preventing airway mucus production by administration of EGF-R antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-11-01 US disclosed
US-6270747-B1 INHIBITING HYPERSECRETION OF MUCUS IN LUNGS AND AIRWAYS BY THE ADMINISTRATION OF AN EGF-R ANTAGONIST. THE UNIVERSITY OF CALIFORNIA 2001-08-07 US disclosed
WO-2000010588-A9 EPIDERMAL GROWTH FACTOR RECEPTOR ANTAGONISTS FOR TREATING HYPERSECRETION OF MUCUS IN THE LUNGS UNIV CALIFORNIA (US) 2000-08-10 WO disclosed
CN-1141298-A Pyrimidine-fused heterocyclic compound anti-cancer agents PFIZER (US) 1997-01-29 CN disclosed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 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 (2 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-20250339433-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION, ALLEVIATION, OR TREATMENT OF CANCER BRCA1, MATR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TTBK1 656/4885TTBK2 214/4885EGFR 835/4885
US-20040127470-A1 Methods and compositions for the prevention or treatment of neoplasia comprising a Cox-2 inhibitor in combination with an epidermal growth factor receptor antagonist EGFR, PTGFR, ERBB2 TTBK1 3151/4885TTBK2 1586/4885EGFR 1/4885

“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.