SCHEMBL22623980

SCHEMBL22623980

CCn1cncc1CC(C)(C)I

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
HTR7 P34969 7/20 0.32
HTR6 P50406 6/20 0.32
HTR1A P08908 6/20 0.32
DRD2 P14416 4/20 0.32
HTR2A P28223 1/20 0.31
CYP3A4 P08684 1/20 0.31
SSTR3 P32745 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL22623977 0.85 KCNH2 (0.40) KCNH2HTR7HTR6HTR1ADRD2
SCHEMBL859620 0.72
SCHEMBL25404428 0.72
SCHEMBL858930 0.72
SCHEMBL17493899 0.72
Hydrochloric Acid SCHEMBL2305128 0.71 KCNH2 (0.44) KCNH2HTR7HTR6HTR1ADRD2
Hydrochloric Acid SCHEMBL25404165 0.71 KCNH2 (0.41) KCNH2HTR7HTR6HTR1AHTR2A
Hydrochloric Acid SCHEMBL25248978 0.71 KCNH2 (0.41) KCNH2HTR7HTR6HTR1AHTR2A
SCHEMBL24265745 0.69 SSTR3 (0.41) KCNH2HTR7HTR6HTR1ADRD2
SCHEMBL17897204 0.69 KCNH2 (0.40) KCNH2HTR7HTR6HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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 (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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 KCNH2 1935/4885HTR7 4110/4885HTR6 3851/4885

“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.