SCHEMBL21897690

SCHEMBL21897690

CSc1ccc2cncc(C(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
TYMS P04818 1/20 0.35
SLC22A12 Q96S37 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
IDO1 P14902 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
ROCK2 O75116 1/20 0.30
CHEK2 O96017 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
SCHEMBL17811233 0.77 LMNA (0.34) SLC22A12ALDH1A1GAAHPGD
SCHEMBL24767979 0.77 LMNA (0.46)
SCHEMBL21008287 0.76 NQO2 (0.43) AKR1C3AKR1C2TYMSKDM4EALDH1A1
SCHEMBL17437293 0.76 GFER (0.41) AKR1C3AKR1C2TYMSSLC22A12KDM4E
SCHEMBL21569496 0.73 CYP1A2 (0.43) AKR1C3AKR1C2TYMSSLC22A12KDM4E
SCHEMBL21018477 0.73 TRPV1 (0.38) SLC22A12ALDH1A1HPGDHSD17B10
SCHEMBL24916399 0.73 CYP11B2 (0.49)
SCHEMBL23731938 0.71 PRKCZ (0.47) AKR1C3AKR1C2KDM4EALDH1A1GAA
SCHEMBL2607435 0.71 ADRA2A (0.44) KDM4EALDH1A1PRKCZ
SCHEMBL29875062 0.71 ADRA2A (0.44) KDM4EALDH1A1PRKCZ

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-20200121803-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2020-04-23 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-20200121803-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 AKR1C3 3831/4885AKR1C2 3546/4885TYMS 2521/4885

“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.