SCHEMBL25099306

SCHEMBL25099306

CS(=O)(=O)Nc1ccnc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 1/20 0.43
▸ ADRA2C P18825 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ CYP1A2 P05177 5/20 0.42
▸ CYP3A4 P08684 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SREBF1 P36956 1/20 0.41
▸ SREBF2 Q12772 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41

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
SCHEMBL23015740 0.82 SREBF2 (0.57) HASPINCYP1A2CYP3A4ALDH1A1ALOX15
SCHEMBL29489035 0.81 CA2 (0.48) MAPK1SMN1; SMN2CA1CA2
SCHEMBL24369575 0.81 CA2 (0.48) MAPK1SMN1; SMN2CA1CA2
SCHEMBL20472857 0.80 PGR (0.52) ALDH1A1IKBKBCHUKMAPK1LMNA
SCHEMBL24369658 0.80 PRKCI (0.32) ADRA2CADRA1AADRA1BCYP3A4IKBKB
SCHEMBL29488816 0.80 PRKCI (0.32) ADRA2CADRA1AADRA1BCYP3A4IKBKB
SCHEMBL24369142 0.78 PRMT6 (0.46) TDP1KIT
SCHEMBL11615543 0.77 PRKCI (0.38) ADRA1AADRA1BCYP1A2CYP3A4ALDH1A1
SCHEMBL24003748 0.75 IKBKB (0.49) CYP1A2CYP3A4ALDH1A1ALOX15IKBKB
SCHEMBL22613423 0.74 SLC22A12 (0.46) CYP1A2CYP3A4ALDH1A1ALOX15IKBKB

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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 — — 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 HASPIN 1848/4885ADRA2C 4322/4885ADRA1A 4092/4885

“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