SCHEMBL22623947

SCHEMBL22623947

CC(C)(CCN)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
KIF11 P52732 3/20 0.38
KCNN4 O15554 5/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ACHE P22303 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
RIPK1 Q13546 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL30634154 0.85 TAAR1 (0.50) TAAR1KIF11KCNN4HDAC3HDAC1
SCHEMBL8805196 0.85 TAAR1 (0.50) TAAR1KIF11KCNN4HDAC3HDAC1
SCHEMBL18387167 0.83 ACHE (0.34) KIF11KCNN4HDAC3HDAC1HDAC2
SCHEMBL24702447 0.80 TAAR1 (0.45) TAAR1KIF11KCNN4KCNE1KCNQ1
SCHEMBL779068 0.78 RIPK1 (0.39) KIF11KCNN4HDAC3HDAC1HDAC2
SCHEMBL22435799 0.77 CNR2 (0.41)
SCHEMBL3508754 0.77 SLC22A12 (0.37) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL2139453 0.77 KCNN4 (0.39) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13591348 0.77 SHBG (0.38) KIF11KCNN4HDAC3HDAC1HDAC2
SCHEMBL24121391 0.76 IDO1 (0.36) TAAR1HTR2CHTR2BRIPK1

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 TAAR1 3381/4885KIF11 4459/4885KCNN4 3228/4885

“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.