SCHEMBL27029985

SCHEMBL27029985

Cc1cc(C)nc(N2CC[C@H]3CNC[C@H]3C2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.50
KDM4E B2RXH2 7/20 0.48
HSD17B10 Q99714 5/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
USP2 O75604 2/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL29118006 1.00 ROCK2 (0.50) ROCK2KDM4EHSD17B10HPGDNPSR1
SCHEMBL27029902 1.00 ROCK2 (0.50) ROCK2KDM4EHSD17B10HPGDNPSR1
SCHEMBL29118052 1.00 ROCK2 (0.50) ROCK2KDM4EHSD17B10HPGDNPSR1
SCHEMBL29118005 1.00 ROCK2 (0.50) ROCK2KDM4EHSD17B10HPGDNPSR1
SCHEMBL29117985 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL21963537 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1670922 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL15796256 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL29367258 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL29614755 0.81 HCRTR1 (0.43) KDM4EHSD17B10HPGDNPSR1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 US disclosed
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 US disclosed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 EP disclosed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 EP disclosed
CN-116981670-A Polycyclic compound containing nitrogen heterocycle, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-31 CN disclosed
WO-2022194122-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-09-22 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-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HCRTR1, HCRTR2, CCKBR ROCK2 3619/4885KDM4E 3486/4885HSD17B10 2878/4885

“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.