SCHEMBL29618756

SCHEMBL29618756

O=Cc1cnc2c(Cl)nccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP2A6 P11509 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR1 P32246 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32
VCAM1 P19320 1/20 0.32

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
SCHEMBL18984758 1.00 PARP1 (0.35) PARP1ALDH1A1CYP2A6HSD17B10CCR1
SCHEMBL18984724 0.84 PARP1 (0.47) PARP1S1PR4
SCHEMBL29621587 0.84 PARP1 (0.47) PARP1S1PR4
SCHEMBL24596414 0.81 CCR1 (0.37) PARP1ALDH1A1CYP2A6CCR1CCR5
SCHEMBL29022258 0.81 CCR1 (0.46) PARP1ALDH1A1CYP2A6CCR1CCR5
SCHEMBL30056498 0.77 ALDH1A1 (0.36) ALDH1A1POLBALDH3A1ALDH1A3MEN1
SCHEMBL15900362 0.77 CCR1 (0.34) ALDH1A1CCR1CCR5CCR8MAPT
SCHEMBL28378549 0.77 MEN1 (0.32) PARP1ALDH1A1CCR1CCR5CCR8
SCHEMBL15908805 0.74 CCR1 (0.61) PARP1ALDH1A1CCR1CCR5CCR8
SCHEMBL14862040 0.74 DYRK1A (0.33) ALDH1A1CCR1CCR5CCR8DYRK1A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110964011-B Synthetic method of 8-chloro-1, 7-naphthyridine-3-formaldehyde 诚达药业股份有限公司 2022-06-21 CN claimed
CN-110950865-B Synthetic method of medical intermediate 8-chloro-1, 7-naphthyridine-3-formaldehyde 诚达药业股份有限公司 2022-05-17 CN claimed
CN-113365995-B Immunomodulators, compositions and methods thereof 贝达药业股份有限公司 2025-03-04 CN disclosed
CN-114650993-B PD-1/PD-L1 inhibitor and preparation method and application thereof 上海华汇拓医药科技有限公司 2024-11-26 CN disclosed
CN-111936475-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-10 CN disclosed
CN-112566900-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-04-26 CN disclosed
CN-116514715-A Heterocyclic compounds as immunomodulators 因赛特公司 2023-08-01 CN disclosed
CN-108699001-B Heterocyclic compounds as immunomodulators 因赛特公司 2023-04-14 CN disclosed
US-20230111910-A1 PD-1/PD-L1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2023-04-13 US disclosed
CN-115611924-A PD-1/PD-L1 inhibitor and preparation method and application thereof 上海华汇拓医药科技有限公司 2023-01-17 CN disclosed
CN-113248492-B Heterocycle substituted nitrogen-containing six-membered heterocyclic derivative, preparation method and medical application thereof 上海海雁医药科技有限公司 2022-11-08 CN disclosed
CN-110964011-B Synthetic method of 8-chloro-1, 7-naphthyridine-3-formaldehyde 诚达药业股份有限公司 2022-06-21 CN disclosed
CN-110964011-B Synthetic method of 8-chloro-1, 7-naphthyridine-3-formaldehyde 诚达药业股份有限公司 2022-06-21 CN disclosed
CN-110964011-B Synthetic method of 8-chloro-1, 7-naphthyridine-3-formaldehyde 诚达药业股份有限公司 2022-06-21 CN disclosed
CN-114650993-A PD-1/PD-L1 inhibitor and preparation method and application thereof 上海华汇拓医药科技有限公司 2022-06-21 CN disclosed
CN-110950865-B Synthetic method of medical intermediate 8-chloro-1, 7-naphthyridine-3-formaldehyde 诚达药业股份有限公司 2022-05-17 CN disclosed
CN-110950865-B Synthetic method of medical intermediate 8-chloro-1, 7-naphthyridine-3-formaldehyde 诚达药业股份有限公司 2022-05-17 CN disclosed
CN-110950865-B Synthetic method of medical intermediate 8-chloro-1, 7-naphthyridine-3-formaldehyde 诚达药业股份有限公司 2022-05-17 CN disclosed
WO-2022099018-A1 PROCESS OF PREPARING A PD-1/PD-L1 INHIBITOR INCYTE CORPORATION (US) 2022-05-12 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 (1 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-20230111910-A1 PD-1/PD-L1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CD274, PDCD1, PDCD1LG2 PARP1 264/4885ALDH1A1 266/4885CYP2A6 3798/4885

“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.