SCHEMBL3025516

SCHEMBL3025516

O=Cc1cccn1-c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
ALDH1A1 P00352 7/20 0.50
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2A6 P11509 3/20 0.46
CYP2E1 P05181 2/20 0.46
HTT P42858 1/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL28802548 0.81 ATM (0.69) ATMALDH1A1POLBCYP1A2L3MBTL1
SCHEMBL1127259 0.79 ATM (1.00) ATMALDH1A1POLBCYP1A2L3MBTL1
SCHEMBL29951332 0.74 CYP2A6 (0.57) ALDH1A1L3MBTL1CYP3A4CYP2A6CYP2E1
SCHEMBL950321 0.73 ALDH1A1 (0.45) ATMALDH1A1POLBCYP1A2L3MBTL1
SCHEMBL12349882 0.72 CYP2A6 (0.59) ALDH1A1CYP3A4CYP2A6CYP2E1HTT
SCHEMBL30080798 0.72 HTT (0.55) ALDH1A1L3MBTL1CYP3A4CYP2A6CYP2E1
SCHEMBL28195188 0.72 CYP2A6 (0.50) ALDH1A1L3MBTL1CYP3A4CYP2A6CYP2E1
SCHEMBL9110239 0.72 HTT (0.55) ALDH1A1L3MBTL1CYP3A4CYP2A6CYP2E1
SCHEMBL950165 0.72 ALDH1A1 (0.69) ATMALDH1A1POLBCYP1A2L3MBTL1
SCHEMBL31310093 0.71 CYP2A6 (0.46) ALDH1A1L3MBTL1CYP3A4CYP2A6CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114878727-B Method for determining hymexazol residues in tobacco 合肥高尔生命健康科学研究院有限公司 2023-07-25 CN claimed
CN-114878727-A Method for determining hymexazol residues in tobacco 合肥高尔生命健康科学研究院有限公司 2022-08-09 CN claimed
CN-114878727-B Method for determining hymexazol residues in tobacco 合肥高尔生命健康科学研究院有限公司 2023-07-25 CN disclosed
CN-114878727-A Method for determining hymexazol residues in tobacco 合肥高尔生命健康科学研究院有限公司 2022-08-09 CN disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
US-20100203039-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2010-08-12 US disclosed
US-7700624-B2 3-aminocyclopentanecrboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-04-20 US disclosed
CN-101341123-A 3-aminocyclopentanecarboxamides as chemokine receptor modulators INCYTE CORP (US) 2009-01-07 CN disclosed
EP-1971576-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2008-09-24 EP disclosed
WO-2007072201-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2007-06-28 WO disclosed
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors INCYTE CORPORATION 2007-06-28 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 (9 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-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 ATM 444/4885ALDH1A1 2424/4885POLB 845/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 ATM 2001/4885ALDH1A1 3670/4885POLB 249/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 ATM 887/4885ALDH1A1 1723/4885POLB 1637/4885
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B ATM 4547/4885ALDH1A1 2656/4885POLB 2987/4885
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY BRDT, BRD4, BRD1 ATM 444/4885ALDH1A1 2424/4885POLB 845/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 ATM 887/4885ALDH1A1 1723/4885POLB 1637/4885
US-20100203039-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 ATM 4666/4885ALDH1A1 1697/4885POLB 3655/4885
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors CCR5, CCR2, ACKR3 ATM 4741/4885ALDH1A1 1714/4885POLB 3304/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 ATM 2001/4885ALDH1A1 3670/4885POLB 249/4885

“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.