SCHEMBL29995016

SCHEMBL29995016

N#Cc1ncccc1N1C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ELANE P08246 2/20 0.32
PLCG1 P19174 1/20 0.31
PARP1 P09874 1/20 0.31
P2RX7 Q99572 1/20 0.30
MAT2A P31153 1/20 0.30
KDM4D Q6B0I6 1/20 0.30

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
SCHEMBL27759574 0.78 GRM1 (0.36) GRM1CYP11B1CYP3A4CYP2D6ELANE
SCHEMBL30118921 0.76 GAA (0.33)
SCHEMBL29995220 0.76 KDM4E (0.42) GRM1
Benzene SCHEMBL28270966 0.75 NAPRT (0.35) GRM1
SCHEMBL5314044 0.74 KDM4E (0.37) GRM1
SCHEMBL29994720 0.72 MYC (0.50) CYP3A4KDM4D
SCHEMBL28731814 0.71 MYC (0.39) CYP3A4
Ammonia Solution, Strong SCHEMBL28935001 0.70 MYC (0.38) CYP3A4
SCHEMBL21722525 0.69 GRM1 (0.45) GRM1CYP11B1CYP3A4CYP2D6PARP1
SCHEMBL21722473 0.69 KDM4E (0.47) GRM1CYP3A4CYP2D6PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377668-A Inhalant formulations of PGDH inhibitors and methods of use thereof 迈欧伏特治疗公司 2024-01-09 CN disclosed
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-22 US disclosed
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-03-21 US disclosed
CN-115335043-A PGDH inhibitors and methods of making and using 迈欧伏特治疗公司 2022-11-11 CN 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-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 GRM1 1007/4885CYP11B1 1504/4885CYP3A4 513/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 GRM1 964/4885CYP11B1 1510/4885CYP3A4 613/4885
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators C5AR1, C3AR1, C5AR2 GRM1 935/4885CYP11B1 2377/4885CYP3A4 418/4885

“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.