SCHEMBL10100704

SCHEMBL10100704

CC(C)(C)CC(C)(O)CN

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL9938107 0.79
SCHEMBL26505639 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4400701 0.73 CYP2D6 (0.30) CYP2D6
SCHEMBL11409761 0.71 TSHR (0.44) ALDH1A1
SCHEMBL167916 0.71
SCHEMBL5622091 0.71
SCHEMBL1091057 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1131941 0.71
SCHEMBL12927010 0.69 CYP2D6 (0.32) CYP2D6
SCHEMBL10749981 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 US disclosed
CN-112262139-A Aminopyrrolotriazines as kinase inhibitors 百时美施贵宝公司 2021-01-22 CN disclosed
EP-3743430-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-12-02 EP disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO disclosed
US-8093281-B2 Indazoles as glucocorticoid receptor ligands GLAXO GROUP LIMITED (GB) 2012-01-10 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 CYP2D6 3602/4885ALDH1A1 4108/4885
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors RIPK1, RIPK2, RIPK4 CYP2D6 3602/4885ALDH1A1 4108/4885

“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.