SCHEMBL13021064

SCHEMBL13021064

CC(C)(C)Cc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.54
▸ PDE2A O00408 2/20 0.41
▸ KIF11 P52732 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ MPL P40238 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ DAO P14920 1/20 0.35

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
SCHEMBL15978918 0.86 CYP2D6 (0.41) IDO1KIF11CYP2D6TSHRMEN1
SCHEMBL2600028 0.85 IDO1 (0.54) IDO1PDE2AKIF11TSHRMAPK1
SCHEMBL18874188 0.81 IDO1 (0.51) IDO1PDE2AKIF11CA1CA2
SCHEMBL14275212 0.81 CES2 (0.43) IDO1PDE2AKIF11CYP3A4CYP2D6
SCHEMBL10026823 0.81 PDE2A (0.40) IDO1PDE2AKIF11CYP3A4CYP2D6
SCHEMBL8189407 0.80 IDO1 (0.58) IDO1PDE2ACA1CA2CA9
SCHEMBL13020820 0.79 SLC6A4 (0.44) IDO1PDE2ATSHRMEN1KMT2A
SCHEMBL12649988 0.79 IDO1 (0.38) IDO1PDE2AKIF11CYP3A4CYP2D6
SCHEMBL19725441 0.78 DAO (0.45) IDO1PDE2AKIF11TSHRMAPK1
SCHEMBL4404016 0.78 RIPK1 (0.46) IDO1CA9HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704118-B1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 — — EP disclosed
US-20200277296-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-03 — — US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 IDO1 515/4885PDE2A 555/4885KIF11 4025/4885
US-20200277296-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS RIPK1, RIPK4, RIPK3 IDO1 1508/4885PDE2A 1977/4885KIF11 3710/4885

“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.

Send feedback