SCHEMBL22355182

SCHEMBL22355182

C=C(C)c1cc(N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.38
KDM4E B2RXH2 5/20 0.34
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
OPRD1 P41143 2/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNA1 Q09470 1/20 0.32
KDM6B O15054 1/20 0.31
TET3 O43151 1/20 0.31
KDM4A O75164 1/20 0.31

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
SCHEMBL2643345 0.79 ALDH1A1 (0.50) ASIC3KDM4EOPRD1ALDH1A1MAPT
SCHEMBL14367970 0.77 UHRF1 (0.48) KDM4ENOS3NOS1NOS2MEN1
SCHEMBL9444934 0.77 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL5700127 0.75 ALDH1A1 (0.57) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL5700329 0.75 MAPT (0.50) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5700355 0.75 ALDH1A1 (0.32) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL25174662 0.73 ASIC3 (0.50) ASIC3KDM4EMEN1KMT2AOPRD1
SCHEMBL23113542 0.73 LMNA (0.41) ALDH1A1LMNATSHR
SCHEMBL29452923 0.72 KDM4E (0.61) ASIC3KDM4EMEN1KMT2AALDH1A1
SCHEMBL17984756 0.72 PRSS1 (0.41) ASIC3KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094242-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2024-02-09 CN disclosed
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
CN-113613721-A NLRP modulators 诺华股份有限公司 2021-11-05 CN disclosed
CN-113286784-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-20 CN disclosed
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed
CN-113166065-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-07-23 CN disclosed
CN-112584899-A NLRP modulators 诺华股份有限公司 2021-03-30 CN disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP disclosed
CN-112437683-A Sulfonylurea compounds useful as inhibitors of interleukin-1 activity 豪夫迈·罗氏有限公司 2021-03-02 CN disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 CN disclosed
WO-2020167663-A1 ANTI-FIBROTIC NEU3 INHIBITOR COMPOUNDS AND METHODS OF USE THE TEXAS A&M UNIVERSITY SYSTEM (US) 2020-08-20 WO disclosed
CN-111094242-A Compounds and compositions for treating conditions associated with NLRP activity 诺华炎症研究公司 2020-05-01 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 (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-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 ASIC3 1351/4885KDM4E 1899/4885NOS3 959/4885

“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.