SCHEMBL22624065

SCHEMBL22624065

CC(C)(C)NCc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ FFAR4 Q5NUL3 5/20 0.39
▸ ALKBH1 Q13686 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ MPO P05164 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RIPK1 Q13546 3/20 0.37

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
SCHEMBL17788628 0.84 MEN1 (0.46) ADRB2MEN1PKMKMT2ACYP1A2
SCHEMBL22957678 0.84 ADRB2 (0.49) ADRB2GLS
SCHEMBL27931746 0.82 ABL1 (0.42) ADRB2ALKBH1GLSRIPK1
SCHEMBL21216304 0.81 ADRB2 (0.53) ADRB2MEN1KMT2AFFAR4GLS
SCHEMBL24018765 0.81 ADRB2 (0.46) ADRB2MEN1KMT2AFFAR4ALKBH1
SCHEMBL22957676 0.80 ADRB2 (0.46) ADRB2FFAR4GLSMPOGPR3
SCHEMBL28093611 0.80 SLC6A2 (0.40) ALKBH1GLSRIPK1
Pyrazinamide SCHEMBL28093966 0.80 RAB9A (0.47) ALKBH1GLSRIPK1
SCHEMBL22389463 0.79 ADRB2 (0.42) ADRB2FFAR4ALKBH1FFAR1MPO
SCHEMBL15599254 0.78 PDE2A (0.44) ADRB2FFAR4ALKBH1FFAR1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 — — US disclosed
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 (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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 ADRB2 2899/4885MEN1 3757/4885PKM 1362/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 ADRB2 3001/4885MEN1 3915/4885PKM 561/4885

“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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