SCHEMBL4753601

SCHEMBL4753601

Cc1nc2c(Cl)ccnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
HTT P42858 1/20 0.42
DAO P14920 1/20 0.42
CCNB2 O95067 5/20 0.40
CDK1 P06493 5/20 0.40
CCNB1 P14635 5/20 0.40
GSK3B P49841 5/20 0.40
CCNB3 Q8WWL7 5/20 0.40
CDK5 Q00535 5/20 0.40
CDK5R1 Q15078 5/20 0.40
GSK3A P49840 4/20 0.40
PRKCI P41743 2/20 0.40
AXL P30530 1/20 0.40
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
CSNK2A1 P68400 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CCNT1 O60563 1/20 0.33

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
SCHEMBL29487153 1.00 PARP1 (0.45) PARP1HTTDAOCCNB2CDK1
SCHEMBL1665498 0.80 PARP1 (0.42) PARP1CCNB2CDK1CCNB1GSK3B
SCHEMBL1058944 0.78 CCNB2 (0.38) PARP1HTTCCNB2CDK1CCNB1
SCHEMBL4365192 0.78 KDM4C (0.41) DAOCCNB2CDK1CCNB1GSK3B
SCHEMBL17645730 0.77 DAO (0.42) DAOCCNB2CDK1CCNB1GSK3B
SCHEMBL20449743 0.77 DAO (0.42) PARP1DAOCCNB2CDK1CCNB1
SCHEMBL4371769 0.77 GAA (0.41) HTTDAOCCNB2CDK1CCNB1
SCHEMBL22304188 0.74 GSK3A (0.36) PARP1CCNB2CDK1CCNB1GSK3B
SCHEMBL29100896 0.74 DAO (0.56) PARP1DAOGSK3BCDK5GSK3A
SCHEMBL8972110 0.74 KDM4C (0.39) HTTDAOCCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404279-B2 Deubiquitinase inhibitors and methods of use thereof MOLECURE S.A. (PL) 2025-09-02 US disclosed
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 US disclosed
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 US disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO disclosed
US-20230022091-A1 COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-01-26 US disclosed
US-11466034-B2 Compound functioning as bromodomain protein inhibitor, and composition BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-10-11 US disclosed
US-20220235064-A1 OXO-PYRIDINE FUSION RING DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME WELLMARKER BIO CO., LTD. (KR) 2022-07-28 US disclosed
EP-4011885-A1 OXO-PYRIDINE FUSION RING DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Wellmarker Bio Co., Ltd. (KR) 2022-06-15 EP disclosed
EP-4011885-A1 OXO-PYRIDINE FUSION RING DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Wellmarker Bio Co., Ltd. (KR) 2022-06-15 EP disclosed
CN-110114357-B Hetero-bicyclic compounds useful as modulators of IL-12, IL-23, and/or IFN alpha response 百时美施贵宝公司 2022-05-31 CN disclosed
EP-3719017-A2 COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION Betta Pharmaceuticals Co., Ltd. (CN) 2020-10-07 EP disclosed
US-10781215-B2 Heterobicyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-22 US disclosed
US-10781215-B2 Heterobicyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-22 US disclosed
US-20190322672-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2019-10-24 US disclosed
US-20190322672-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2019-10-24 US disclosed
EP-3532473-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2019-09-04 EP disclosed
WO-2018081488-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 WO disclosed
WO-2018081488-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 WO disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 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 (7 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-11466034-B2 Compound functioning as bromodomain protein inhibitor, and composition BRD4, BRD1, BRD2 PARP1 191/4885HTT 1020/4885DAO 4360/4885
US-10781215-B2 Heterobicyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses TYK2, IL2, IL23R PARP1 1523/4885HTT 2911/4885DAO 3508/4885
US-20220235064-A1 OXO-PYRIDINE FUSION RING DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ROS1, ROR1, RET PARP1 3153/4885HTT 4314/4885DAO 3100/4885
US-20230022091-A1 COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION BRD4, BRD1, BRD2 PARP1 191/4885HTT 1020/4885DAO 4360/4885
US-20190322672-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, IFNG PARP1 1695/4885HTT 2845/4885DAO 2986/4885
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 PARP1 1236/4885HTT 274/4885DAO 2542/4885
US-12404279-B2 Deubiquitinase inhibitors and methods of use thereof USP7, USP28, USP1 PARP1 1236/4885HTT 274/4885DAO 2542/4885

“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.