SCHEMBL9178197

SCHEMBL9178197

CCc1nc2c([nH]1)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
ADORA1 P30542 4/20 0.38
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 2/20 0.38
SMPD3 Q9NY59 1/20 0.37
DDAH1 O94760 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TNKS2 Q9H2K2 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
SCHEMBL22487790 0.96 ADORA1 (0.38) HRH4ADORA1ADORA3ADORA2ASMPD3
SCHEMBL22858756 0.84 HRH4 (0.36) HRH4SMPD3GAAHTTPOLB
SCHEMBL8957952 0.81 ALDH1A1 (0.41) HRH4MEN1KMT2A
SCHEMBL13318361 0.79 HRH4 (0.35) HRH4SMPD3
Hydrochloric Acid SCHEMBL14716148 0.78 HDAC6 (0.36) HRH4SMPD3HTT
Hydrochloric Acid SCHEMBL28836282 0.78 HRH4 (0.34) HRH4SMPD3
SCHEMBL12989184 0.77 HRH4 (0.38) HRH4ADORA1ADORA3ADORA2ADDAH1
SCHEMBL23642016 0.75 PDCD1 (0.40) ADORA1ADORA3ADORA2ADDAH1
SCHEMBL7711700 0.75 HRH4 (0.33) HRH4SMPD3
SCHEMBL19152671 0.73 SRC (0.33) ADORA1ADORA3ADORA2ADDAH1TNKS2

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-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
EP-3081569-B1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEREOF IN PREPARATION OF MEDICAMENT SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2019-09-18 EP disclosed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 WO disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-5478539-A Solvent extraction by complexing the metal oxyanion with a benzimidazole ZENECA LIMITED (GB) 1995-12-26 US disclosed
US-5213777-A Extraction of uranium values using an imidazole extractant IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-25 US 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-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT HRH4 3015/4885ADORA1 4484/4885ADORA3 4145/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 HRH4 2993/4885ADORA1 4237/4885ADORA3 4176/4885

“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.