SCHEMBL1007105

SCHEMBL1007105

COC(=O)c1ccnc(CCl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
KDM4C Q9H3R0 2/20 0.55
KDM6B O15054 1/20 0.55
KDM5C P41229 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
ALOX15 P16050 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
JMJD6 Q6NYC1 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM5B Q9UGL1 4/20 0.46
KDM5A P29375 3/20 0.46
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL29700409 1.00 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL9364851 0.98 KDM4C (0.54) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL28561977 0.87 KDM4E (0.53) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL16880817 0.85 KDM4E (0.48) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL10263738 0.85 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL31320065 0.85 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL30740808 0.85 KDM4C (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL348975 0.85 KDM4C (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL7376424 0.84 JMJD6 (0.53) KDM4CKDM5CJMJD6RAB9ANPC1
SCHEMBL22005801 0.83 KDM5C (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702025-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-03-04 EP disclosed
EP-4251615-B1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2025-10-15 EP disclosed
WO-2024223715-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-10-31 WO disclosed
EP-4298097-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
US-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-12-07 US disclosed
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 US disclosed
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 US disclosed
CN-116897155-A Benzothiazolyl bicyclo [1.1.1] pentane derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-10-17 CN disclosed
EP-4251615-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
EP-4019522-B1 NEW DERIVATIVES OF PYRROLOPYRROLE CYANINES AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2023-09-27 EP disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 WO disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-1448198-B1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-10-31 EP disclosed
EP-1448198-A1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-25 EP disclosed
US-6620811-B2 Adenosine receptor antagonists; nervous system and cardiovascular disorders; Parkinson*s, Huntington*s, and Alzheimer* disease; antiasthmatics, antiallergens HOFFMANN-LA ROCHE INC. 2003-09-16 US disclosed
US-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles F.HOFFMANN-LA ROCHE AG (CH) 2003-07-17 US disclosed
WO-2003043636-A1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 WO disclosed
US-5114945-A Spiropiperidine derivatives GLAXO GROUP LIMITED (GB) 1992-05-19 US disclosed
EP-0330461-A2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 1989-08-30 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-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles ADORA1, ADORA2A, ADORA3 KDM4E 4388/4885KDM4C 4468/4885KDM6B 4027/4885
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1I3, NR1H4 KDM4E 4240/4885KDM4C 4156/4885KDM6B 3948/4885
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 KDM4E 3157/4885KDM4C 2549/4885KDM6B 3472/4885
US-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, SLC10A1, BCL2A1 KDM4E 3903/4885KDM4C 4005/4885KDM6B 3604/4885

“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.