SCHEMBL104715

SCHEMBL104715

O=C(Cl)c1cc2c(s1)CCCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.70
DAO P14920 1/20 0.65
POLB P06746 4/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
PKM P14618 2/20 0.60
CYP3A4 P08684 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 5/20 0.58
TP53 P04637 2/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP2C9 P11712 2/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL3096138 0.96 DAO (0.70) ALDH1A1DAOPOLBCYP1A2CYP2C19
SCHEMBL1068704 0.82 ALDH1A1 (1.00) ALDH1A1DAOPOLBCYP1A2CYP2C19
SCHEMBL3743711 0.81 ALDH1A1 (0.96) ALDH1A1DAOPOLBCYP1A2CYP2C19
SCHEMBL28870929 0.81 ALDH1A1 (0.96) ALDH1A1DAOPOLBCYP1A2CYP2C19
SCHEMBL13363464 0.81 ALDH1A1 (0.70) ALDH1A1DAOPOLBCYP1A2CYP2C19
SCHEMBL2461710 0.81 ALDH1A1 (0.70) ALDH1A1DAOPOLBCYP1A2CYP2C19
SCHEMBL28870926 0.81 ALDH1A1 (0.96) ALDH1A1DAOPOLBCYP1A2CYP2C19
SCHEMBL3917742 0.80 ALDH1A1 (0.64) ALDH1A1DAOPOLBCYP1A2CYP2C19
SCHEMBL16814184 0.80 ALDH1A1 (0.64) ALDH1A1DAOPOLBCYP1A2CYP2C19
SCHEMBL13908042 0.79 ALDH1A1 (0.68) ALDH1A1DAOPOLBCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
CN-113583007-B Pyrrolopyrimidine BTK inhibitor and preparation method and application thereof 山东大学 2022-06-10 CN disclosed
CN-113583007-A Pyrrolopyrimidine BTK inhibitor and preparation method and application thereof 山东大学 2021-11-02 CN disclosed
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
EP-3444251-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2019-02-20 EP disclosed
EP-3444251-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2019-02-20 EP disclosed
EP-3080122-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-10-31 EP disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP disclosed
WO-2009039397-A2 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER CGI PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
WO-2009039397-A2 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER CGI PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 US disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 EP disclosed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US disclosed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 WO disclosed
US-5304657-A Insecticides ISHIHARA SANGYO KAISHA LTD. (JP) 1994-04-19 US disclosed
EP-0483647-A1 Hydrazine compounds or their salts, processes for producing them and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-05-06 EP 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 (4 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN ALDH1A1 4265/4885DAO 2024/4885POLB 1872/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 ALDH1A1 3686/4885DAO 1611/4885POLB 3872/4885
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 ALDH1A1 3393/4885DAO 1474/4885POLB 2798/4885
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN ALDH1A1 4256/4885DAO 2471/4885POLB 1877/4885

“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.