SCHEMBL400160

SCHEMBL400160

O=C1c2ccccc2C(=O)N1Cc1n[nH]c(=S)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
CYP2C9 P11712 1/20 0.55
PRMT5 O14744 2/20 0.53
WDR77 Q9BQA1 2/20 0.53
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.41
MAPT P10636 4/20 0.40
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL23099038 0.77 PRMT5 (0.73) PRMT5WDR77TSHRPARP1
SCHEMBL594308 0.76 MAPT (0.44) ALDH1A1HPGDPRMT5WDR77MEN1
SCHEMBL400710 0.73 ALDH1A1 (0.55) ALDH1A1HPGDCYP2C9PRMT5MEN1
SCHEMBL17285573 0.71 ALDH1A1 (1.00) ALDH1A1HPGDCYP2C9KDM4EMAPT
SCHEMBL5795561 0.70 ALDH1A1 (0.73) ALDH1A1HPGDCYP2C9MEN1KMT2A
SCHEMBL23087447 0.70 PRMT5 (0.69) ALDH1A1PRMT5WDR77MEN1KMT2A
SCHEMBL25213864 0.70 PRMT5 (0.69) ALDH1A1PRMT5WDR77MEN1PKM
SCHEMBL30833176 0.70 PRMT5 (0.69) ALDH1A1PRMT5WDR77MEN1PKM
SCHEMBL29735278 0.70 PRMT5 (0.69) ALDH1A1PRMT5WDR77MEN1KMT2A
SCHEMBL23087458 0.70 PRMT5 (1.00) PRMT5WDR77HTTPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2022-07-07 US disclosed
CN-114075190-A Heterocyclic BTK inhibitors 北京诺诚健华医药科技有限公司 2022-02-22 CN disclosed
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2020-09-03 US disclosed
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-02-20 US disclosed
US-10435409-B2 Process for the preparation of ibrutinib SHILPA MEDICARE LIMITED 2019-10-08 US disclosed
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2019-02-07 US disclosed
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 US disclosed
WO-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
EP-1781660-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-05-09 EP disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
WO-2006012422-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-02-02 WO disclosed
US-20060019957-A1 Imidazotriazines as protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 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 (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-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase ABL1, BTK, ABL2 ALDH1A1 4117/4885HPGD 3546/4885CYP2C9 3261/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN ALDH1A1 4521/4885HPGD 3650/4885CYP2C9 4177/4885
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB BTK, SYK, JAK1 ALDH1A1 594/4885HPGD 3355/4885CYP2C9 534/4885
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN ALDH1A1 3975/4885HPGD 3944/4885CYP2C9 532/4885
US-20060019957-A1 Imidazotriazines as protein kinase inhibitors IGF1R, IRS1, INSR ALDH1A1 1411/4885HPGD 3492/4885CYP2C9 2546/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 ALDH1A1 4496/4885HPGD 2872/4885CYP2C9 4397/4885
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 ALDH1A1 4019/4885HPGD 3423/4885CYP2C9 3338/4885
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN ALDH1A1 4521/4885HPGD 3650/4885CYP2C9 4177/4885
US-10435409-B2 Process for the preparation of ibrutinib BTK, SYK, JAK1 ALDH1A1 534/4885HPGD 3318/4885CYP2C9 508/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 ALDH1A1 3941/4885HPGD 2843/4885CYP2C9 2313/4885

“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.