SCHEMBL12469849

SCHEMBL12469849

c1cnc(-c2nnc(-c3ncccn3)nn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
HDAC8 Q9BY41 2/20 0.39
HSP90AA1 P07900 2/20 0.39
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 6/20 0.35
LMNA P02545 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
METAP1 P53582 1/20 0.35
BLM P54132 1/20 0.35
DOHH Q9BU89 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL171853 0.88 HDAC8 (0.47) TP53HDAC8HSP90AA1CYP2A6KDM4E
SCHEMBL17791776 0.85 TP53 (0.39) TP53HDAC8HSP90AA1CYP2A6KDM4E
SCHEMBL17144230 0.84 HDAC8 (0.44) TP53HDAC8HSP90AA1CYP2A6KDM4E
Iodide SCHEMBL28731796 0.84 HDAC8 (0.44) TP53HDAC8HSP90AA1CYP2A6KDM4E
SCHEMBL30800591 0.84 HDAC8 (0.44) TP53HDAC8HSP90AA1CYP2A6KDM4E
Hydrochloric Acid SCHEMBL6534749 0.84 HDAC8 (0.44) TP53HDAC8HSP90AA1CYP2A6KDM4E
Hydrochloric Acid SCHEMBL6535289 0.84 HDAC8 (0.44) TP53HDAC8HSP90AA1CYP2A6KDM4E
SCHEMBL4270187 0.84 HDAC8 (0.44) TP53HDAC8HSP90AA1CYP2A6KDM4E
SCHEMBL29810143 0.84 HDAC8 (0.44) TP53HDAC8HSP90AA1CYP2A6KDM4E
Hydrochloric Acid SCHEMBL29713633 0.84 HDAC8 (0.44) TP53HDAC8HSP90AA1CYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118465220-B High-detection-precision nondestructive detection method and system for weld joint 江苏航运职业技术学院 2024-09-20 CN claimed
CN-118465220-A High-detection-precision nondestructive detection method and system for weld joint 江苏航运职业技术学院 2024-08-09 CN claimed
US-20210388188-A1 PNEUMATIC TIRE AND RUBBER COMPOSITION INCLUDING TETRAZINE MODIFIED ELASTOMER AND ZINC COMPLEX COMPOUND THE GOODYEAR TIRE & RUBBER COMPANY 2021-12-16 US claimed
US-20210388187-A1 PNEUMATIC TIRE AND RUBBER COMPOSITION INCLUDING SURFACE-FUNCTIONALIZED CARBON NANOTUBES IN COMBINATION WITH TETRAZINE MODIFIED ELASTOMER THE GOODYEAR TIRE & RUBBER COMPANY 2021-12-16 US claimed
EP-3922484-A1 PNEUMATIC TIRE AND RUBBER COMPOSITION INCLUDING SURFACE-FUNCTIONALIZED CARBON BLACK AND TETRAZINE MODIFIED ELASTOMER The Goodyear Tire & Rubber Company (US) 2021-12-15 EP claimed
EP-3922483-A1 PNEUMATIC TIRE AND RUBBER COMPOSITION INCLUDING TETRAZINE MODIFIED ELASTOMER AND ZINC COMPLEX COMPOUND The Goodyear Tire & Rubber Company (US) 2021-12-15 EP claimed
US-12617927-B2 Method for cleaving coordinate bond of complex polymer BRIDGESTONE CORPORATION (JP) 2026-05-05 US disclosed
US-12551876-B2 Coordinated platinum hydrosilylation catalysts with COOH based ligands THE TRUSTEES OF INDIANA UNIVERSITY (US) 2026-02-17 US disclosed
US-20250188248-A1 RUBBER COMPOSITION AND RUBBER PRODUCT BRIDGESTONE CORPORATION (JP) 2025-06-12 US disclosed
US-20250145798-A1 RUBBER COMPOSITION AND RUBBER PRODUCT BRIDGESTONE CORPORATION (JP) 2025-05-08 US disclosed
EP-4488324-A1 RUBBER COMPOSITION AND RUBBER PRODUCT BRIDGESTONE CORPORATION (JP) 2025-01-08 EP disclosed
EP-4488323-A1 RUBBER COMPOSITION AND RUBBER PRODUCT BRIDGESTONE CORPORATION (JP) 2025-01-08 EP disclosed
WO-2025004409-A1 TIRE RUBBER COMPOSITION AND TIRE 株式会社ブリヂストン 2025-01-02 WO disclosed
US-20200040167-A1 RUBBER COMPOSITION AND TIRE OTSUKA CHEMICAL CO., LTD. (JP) 2020-02-06 US disclosed
US-20180273723-A1 ADDITIVE FOR IMPARTING LOW HEAT BUILD-UP TO RUBBER COMPONENT OTSUKA CHEMICAL CO., LTD. (JP) 2018-09-27 US disclosed
EP-3357961-A1 ADDITIVE FOR IMPARTING LOW HEAT BUILD-UP TO RUBBER COMPONENT Otsuka Chemical Holdings Co., Ltd. (JP) 2018-08-08 EP disclosed
US-9913921-B2 Pretargeting kit for imaging or therapy comprising a trans-cyclooctene dienophile and a diene TAGWORKS PHARMACEUTICALS B.V. (NL) 2018-03-13 US disclosed
EP-2627800-A1 METAL COMPLEX AND USE AS MULTI-ELECTRON CATALYST Universiteit Leiden (NL) 2013-08-21 EP disclosed
WO-2012153254-A1 PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS - CYCLOOCTENE DIENOPHILE AND A DIENE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-15 WO disclosed
WO-2012050436-A1 METAL COMPLEX AND USE AS MULTI-ELECTRON CATALYST UNIVERSITEIT LEIDEN (NL) 2012-04-19 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 (2 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-12551876-B2 Coordinated platinum hydrosilylation catalysts with COOH based ligands PDCD1LG2, PDCD1, SCO2 TP53 1026/4885HDAC8 3836/4885HSP90AA1 2455/4885
US-12617927-B2 Method for cleaving coordinate bond of complex polymer SPOP, RNF5, RNF168 TP53 2215/4885HDAC8 3189/4885HSP90AA1 4624/4885

“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.