SCHEMBL21893829

SCHEMBL21893829

Cc1cnc2c(N)cnn2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 9/20 0.48
PDE2A O00408 6/20 0.40
KDR P35968 1/20 0.36
HSD11B1 P28845 2/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
TDO2 P48775 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
Hydrochloric Acid SCHEMBL22835004 0.98 SMPD3 (0.47) SMPD3PDE2AKDRHSD11B1NOS3
SCHEMBL4395064 0.79 SMPD3 (0.52) SMPD3KDR
SCHEMBL15308505 0.79 PDE2A (0.41) PDE2AKDRHSD11B1
SCHEMBL22834525 0.76 SMPD3 (0.48) SMPD3KDRTDO2
SCHEMBL16628978 0.76 PDE2A (0.40) PDE2AKDRHSD11B1
SCHEMBL12517707 0.76 PRKAB2 (0.51) PDE2AKDRHSD11B1
SCHEMBL29291264 0.76 PDE2A (0.37) PDE2AKDRHSD11B1
SCHEMBL22834516 0.76 TGFBR2 (0.50) SMPD3PDE2AKDRHSD11B1
Hydrochloric Acid SCHEMBL22834582 0.74 SMPD3 (0.47) SMPD3KDRTDO2
SCHEMBL17052866 0.73 PDE2A (0.44) PDE2AKDRHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698406-A Synthesis method of 6-methylpyrazolo [1,5-A ] pyrimidine-3-amine 成都药明康德新药开发有限公司 2021-11-26 CN claimed
US-20240343733-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS C4 THERAPEUTICS, INC. 2024-10-17 US disclosed
CN-114585609-B 2H-indazole derivatives and their use in the treatment of diseases 比奥根MA公司 2024-07-30 CN disclosed
CN-114245796-B Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of diseases 比奥根MA公司 2024-07-30 CN disclosed
EP-4367113-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS Biogen MA Inc. (US) 2024-05-15 EP disclosed
CN-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 CN disclosed
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 US disclosed
WO-2023283610-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 WO disclosed
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 US disclosed
EP-3990454-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 EP disclosed
EP-3990432-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 EP disclosed
CN-114245796-A Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of disease 比奥根MA公司 2022-03-25 CN disclosed
CN-113698406-A Synthesis method of 6-methylpyrazolo [1,5-A ] pyrimidine-3-amine 成都药明康德新药开发有限公司 2021-11-26 CN disclosed
CN-113698406-A Synthesis method of 6-methylpyrazolo [1,5-A ] pyrimidine-3-amine 成都药明康德新药开发有限公司 2021-11-26 CN disclosed
CN-113698406-A Synthesis method of 6-methylpyrazolo [1,5-A ] pyrimidine-3-amine 成都药明康德新药开发有限公司 2021-11-26 CN disclosed
WO-2020263967-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO disclosed
WO-2020263980-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (3 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-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 SMPD3 2642/4885PDE2A 1879/4885KDR 401/4885
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 SMPD3 2851/4885PDE2A 1459/4885KDR 188/4885
US-20240343733-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS IRAK4, IRAK2, IRAK1 SMPD3 3002/4885PDE2A 3670/4885KDR 2840/4885

“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.