SCHEMBL3039281

SCHEMBL3039281

COCCN(C)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.46
CYP3A4 P08684 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PSMD14 O00487 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.39
BRAF P15056 1/20 0.37
DGAT1 O75907 1/20 0.34
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL9544920 0.98 TDP1 (0.45) TDP1CYP3A4ALDH1A1MAPK1TP53
SCHEMBL18562081 0.89 BRAF (0.41) ALDH1A1ALOX15TSHRBRAFDGAT1
SCHEMBL31123215 0.89 TDP1 (0.41) TDP1CYP3A4ALDH1A1MAPK1TP53
SCHEMBL29659336 0.89 CYP3A4 (0.43) TDP1CYP3A4ALDH1A1MAPK1TP53
SCHEMBL6387899 0.83 ALDH1A1 (0.38) TDP1CYP3A4ALDH1A1MAPK1TP53
SCHEMBL16914897 0.83 ALDH1A1 (0.59) TDP1CYP3A4ALDH1A1MAPK1TP53
SCHEMBL23928152 0.82 TAAR1 (0.47) TDP1ALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL994614 0.82 TDP1 (0.54) TDP1CYP3A4ALDH1A1MAPK1TP53
SCHEMBL10216056 0.82 ALDH1A1 (0.44) ALDH1A1TSHRBRAFDGAT1MAPT
SCHEMBL5691620 0.80 CTH (0.43) TDP1CYP3A4ALDH1A1MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-07-10 US disclosed
EP-4504730-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 Dana-Farber Cancer Institute, Inc. (US) 2025-02-12 EP disclosed
CN-119365454-A Discovery of covalent EGFR inhibitors through cysteine 775 丹娜-法伯癌症研究院 2025-01-24 CN disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 WO disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 WO disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
EP-3484887-A1 WEE-1 INHIBITING PYRAZOLOPYRIMIDINONE COMPOUNDS Almac Discovery Limited (GB) 2019-05-22 EP disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
WO-2013171281-A1 HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANTIVIRAL DRUGS VIVALIS (FR) 2013-11-21 WO disclosed
EP-2664616-A1 Hydantoin and thiohydantoin derivatives as antiviral drugs Vivalis (FR) 2013-11-20 EP disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
EP-2038253-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 WO disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 WO disclosed
EP-0384487-A2 Silver halide color photographic material Fuji Photo Film Co., Ltd. (JP) 1990-08-29 EP disclosed
US-4113490-A DEVELOPMENT, AMPLIFYING BATH CONTAINING HYDROGEN PEROXIDE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1978-09-12 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 (7 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-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK TDP1 1300/4885CYP3A4 2847/4885ALDH1A1 4165/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF TDP1 1814/4885CYP3A4 1522/4885ALDH1A1 948/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK TDP1 1953/4885CYP3A4 4198/4885ALDH1A1 4333/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 TDP1 725/4885CYP3A4 4807/4885ALDH1A1 4394/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK TDP1 1914/4885CYP3A4 4148/4885ALDH1A1 4184/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK TDP1 1914/4885CYP3A4 4148/4885ALDH1A1 4184/4885
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 EGFR, ERBB2, ERBB3 TDP1 3122/4885CYP3A4 4714/4885ALDH1A1 2954/4885

“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.