SCHEMBL19471298

SCHEMBL19471298

CCc1ccc(C2=NN(c3ccccc3)C(c3ccc(Br)cc3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.67
▸ ERBB2 P04626 5/20 0.67
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ GAA P10253 3/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ ATM Q13315 4/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ GLA P06280 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ACHE P22303 1/20 0.54
▸ ERBB3 P21860 1/20 0.54

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
SCHEMBL2687295 0.91 EGFR (0.78) EGFRERBB2CA1CA2MEN1
SCHEMBL27741002 0.89 EGFR (0.65) EGFRERBB2CA1CA2MEN1
SCHEMBL31429970 0.88 EGFR (0.74) EGFRERBB2CA1CA2MEN1
SCHEMBL19471296 0.88 GAA (0.73) EGFRERBB2CA1CA2MEN1
SCHEMBL27955200 0.85 MEN1 (0.77) EGFRERBB2CA1CA2MEN1
SCHEMBL19471302 0.84 MEN1 (0.55) EGFRERBB2MEN1KMT2AGAA
SCHEMBL23052047 0.84 EGFR (0.69) EGFRERBB2CA1CA2MEN1
SCHEMBL23052315 0.84 EGFR (0.69) EGFRERBB2CA1CA2MEN1
SCHEMBL13680429 0.81 EGFR (0.71) EGFRERBB2CA1CA2MEN1
SCHEMBL14338087 0.81 MEN1 (0.69) EGFRERBB2CA1CA2MEN1

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
US-10800966-B2 Organic scintillators derived from pyrazoline CLEMSON UNIVERSITY RESEARCH FOUNDATION (US) 2020-10-13 — — US disclosed
US-10800966-B2 Organic scintillators derived from pyrazoline CLEMSON UNIVERSITY RESEARCH FOUNDATION (US) 2020-10-13 — — US disclosed
US-20170306220-A1 Organic Scintillators Derived from Pyrazoline DEFENSE THREAT REDUCTION AGENCY, US DOD 2017-10-26 — — US disclosed
US-20170306220-A1 Organic Scintillators Derived from Pyrazoline DEFENSE THREAT REDUCTION AGENCY, US DOD 2017-10-26 — — US disclosed
US-20170306220-A1 Organic Scintillators Derived from Pyrazoline DEFENSE THREAT REDUCTION AGENCY, US DOD 2017-10-26 — — 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-10800966-B2 Organic scintillators derived from pyrazoline SELENOI, SCLY, GPX4 EGFR 3697/4885ERBB2 2442/4885CA1 4479/4885
US-20170306220-A1 Organic Scintillators Derived from Pyrazoline SELENOI, SCLY, GPX4 EGFR 3697/4885ERBB2 2442/4885CA1 4479/4885

“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.

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