SCHEMBL22624166

SCHEMBL22624166

CCC(C)(C)c1cc(C)ncc1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.33
UHRF1 Q96T88 1/20 0.32
MEN1 O00255 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
UBE2N P61088 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP3A4 P08684 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
SCHEMBL17298912 0.87 NR3C1 (0.33) UHRF1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL21719211 0.85 AAK1 (0.32) AAK1UHRF1NR3C1CYP3A4
SCHEMBL20844147 0.79 UHRF1 (0.37) AAK1UHRF1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL22624051 0.76 UHRF1 (0.34) AAK1UHRF1CYP1A2CYP2A6
SCHEMBL2735691 0.76 UHRF1 (0.34) AAK1UHRF1KMT2ASMN1; SMN2CYP1A2
SCHEMBL25787773 0.75 HPGD (0.37) UHRF1CYP1A2CYP2A6
SCHEMBL18415071 0.73
SCHEMBL15490063 0.73 DPP4 (0.35)
SCHEMBL2610402 0.72
SCHEMBL14327701 0.71 KDM4E (0.32) SMN1; SMN2CYP1A2MAPTALDH1A1

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 AAK1 14/4885UHRF1 2383/4885MEN1 3757/4885

“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.