SCHEMBL1443986

SCHEMBL1443986

COc1nc(Cl)nc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
CYP1A2 P05177 2/20 0.36
PDPK1 O15530 1/20 0.36
CYP2C19 P33261 1/20 0.34
CCR4 P51679 1/20 0.32
ABL1 P00519 1/20 0.31
RAD52 P43351 1/20 0.31
RIN1 Q13671 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL31380770 1.00 XDH (0.37) XDHCYP1A2PDPK1CYP2C19CCR4
SCHEMBL16549309 0.81 CDK2 (0.41) XDHKDM4E
SCHEMBL22700363 0.79 MEN1 (0.37) CYP1A2PDPK1CYP2C19CCR4ABL1
SCHEMBL19978884 0.79 PDPK1 (0.36) CYP1A2PDPK1CYP2C19ABL1RAD52
SCHEMBL9503831 0.79 PDPK1 (0.36) CYP1A2PDPK1CYP2C19ABL1RAD52
Methylguanine SCHEMBL1336757 0.79 CDK1 (0.41) PDPK1
Methylguanine SCHEMBL29968306 0.79 CDK1 (0.41) PDPK1
SCHEMBL18961720 0.76 GAA (0.35) CYP1A2PDPK1CYP2C19MAPTKDM4E
SCHEMBL16549303 0.76 PIN1 (0.44) SMN1; SMN2KDM4E
SCHEMBL6268748 0.76 CDK1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778604-B1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA FARBER CANCER INST INC (US) 2026-01-07 EP disclosed
WO-2025026903-A1 IMIDAZO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-02-06 WO disclosed
US-20220024925-A1 Deuterium-Substituted 7-Substituted-2-(Benzylamino)-6-Ozopurine Compounds and Uses Thereof ACURX PHARMACEUTICALS, LLC 2022-01-27 US disclosed
US-20220024925-A1 Deuterium-Substituted 7-Substituted-2-(Benzylamino)-6-Ozopurine Compounds and Uses Thereof ACURX PHARMACEUTICALS, LLC 2022-01-27 US disclosed
CN-113563342-A LRRK2 inhibitors and methods of making and using the same 达纳-法伯癌症研究所公司 2021-10-29 CN disclosed
CN-107801397-B LRRK2 inhibitors and methods of making and using the same 达纳-法伯癌症研究所公司 2021-07-30 CN disclosed
EP-3134411-B1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2021-06-30 EP disclosed
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 US disclosed
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 US disclosed
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 EP disclosed
WO-2018049534-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC. (CA) 2018-03-22 WO disclosed
EP-3256475-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana-Farber Cancer Institute, Inc. (US) 2017-12-20 EP disclosed
EP-2475252-B1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS GLSYNTHESIS INC (US) 2016-11-16 EP disclosed
WO-2016130920-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-08-18 WO disclosed
WO-2016130920-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-08-18 WO disclosed
CN-103788160-B (2R, 5R)-5-phosphatidyl methoxy-2-(2-substituted adenines-9-base)-2,5-dihydrofuran nucleoside analog and its production and use 郑州大学 2016-07-06 CN disclosed
US-8796292-B2 Selective antibacterials for clostridium difficile infections GLSYNTHESIS INC. (US) 2014-08-05 US disclosed
US-20120232077-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS ACURX PHARMACEUTICALS, LLC 2012-09-13 US disclosed
EP-2475252-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS Glsynthesis Inc. (US) 2012-07-18 EP disclosed
WO-2011031935-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS GLSYNTHESIS INC. (US) 2011-03-17 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 (3 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-20120232077-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS MRPL21, RPN2, ALPI XDH 355/4885CYP1A2 293/4885PDPK1 3556/4885
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME LRRK2, PARK7, PINK1 XDH 1897/4885CYP1A2 4606/4885PDPK1 26/4885
US-20220024925-A1 Deuterium-Substituted 7-Substituted-2-(Benzylamino)-6-Ozopurine Compounds and Uses Thereof DUT, DCTD, TPMT XDH 75/4885CYP1A2 455/4885PDPK1 3185/4885

“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.