SCHEMBL24345321

SCHEMBL24345321

Cc1cc2ccc(C(F)(F)F)cc2n1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PDE2A O00408 5/20 0.39
KIF11 P52732 1/20 0.38
S1PR1 P21453 2/20 0.36
P2RX3 P56373 1/20 0.35
TDP2 O95551 1/20 0.35
DHFR P00374 1/20 0.35
SLC2A1 P11166 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAT2A P31153 1/20 0.34
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
HTR7 P34969 1/20 0.34
PKM P14618 1/20 0.33
BACE1 P56817 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL12440619 0.77 KIF11 (0.49) ALDH1A1PDE2AKIF11TDP2CYP11B2
SCHEMBL20356287 0.77 HTR2A (0.41) ALDH1A1DHFRSLC2A1
SCHEMBL21304004 0.72 ALDH1A1 (0.55) ALDH1A1PDE2AKIF11P2RX3PKM
SCHEMBL15723852 0.71 CDC7 (0.43) ALDH1A1PDE2AKIF11S1PR1CYP11B2
SCHEMBL1885008 0.71 KMT2A (0.42) ALDH1A1DHFRSLC2A1
SCHEMBL20097037 0.70 KIF11 (0.51) ALDH1A1PDE2AKIF11P2RX3MAT2A
SCHEMBL21311348 0.69 ALDH1A1 (0.46) ALDH1A1PDE2AKIF11
SCHEMBL20097052 0.69 KIF11 (0.64) ALDH1A1PDE2AKIF11MAT2A
SCHEMBL29342958 0.69 SLC22A12 (0.46) ALDH1A1
SCHEMBL20655579 0.68 ALDH1A1 (0.44) ALDH1A1PDE2AKIF11CYP11B2MAT2A

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-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-14 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-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FRK ALDH1A1 3607/4885PDE2A 2547/4885KIF11 2207/4885

“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.