SCHEMBL27199652

SCHEMBL27199652

COc1c(NC(=O)O)ccc2cnn(C(C)C#N)c12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
GPR35 Q9HC97 1/20 0.32
MAPK1 P28482 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PKM P14618 1/20 0.31
HPGDS O60760 1/20 0.31
KMO O15229 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 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
SCHEMBL27199549 0.87 MAPK1 (0.40) XIAPBIRC2MAPK1ALDH1A1TSHR
SCHEMBL25757760 0.86 PIK3CD (0.36)
SCHEMBL27199328 0.78 ROS1 (0.35) GPR35MAPK1ALDH1A1TSHRNPC1
SCHEMBL27199438 0.78 MEN1 (0.40) XIAPBIRC2MAPK1ALDH1A1TSHR
SCHEMBL27199462 0.77 HTR2A (0.40) ALDH1A1NPC1RAB9AHTR2AHTR2C
SCHEMBL25757759 0.77 HTR2A (0.34) HTR2AHTR2C
SCHEMBL27199446 0.75 MAPK1 (0.43) MAPK1ALDH1A1TSHRNPC1RAB9A
SCHEMBL27199485 0.74 BRD4 (0.38) MAPK1ALDH1A1TSHRNPC1RAB9A
SCHEMBL27199360 0.74 HTR2A (0.39) MAPK1ALDH1A1NPC1RAB9AKMO
SCHEMBL27199710 0.73 MAPK1 (0.41) MAPK1ALDH1A1NPC1RAB9AKMO

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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 XIAP 482/4885BIRC2 1058/4885GPR35 3377/4885

“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.