SCHEMBL27199549

SCHEMBL27199549

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
PDE9A O76083 6/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
KMO O15229 1/20 0.33
PDE1B Q01064 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
PTGER3 P43115 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DGAT1 O75907 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL27199652 0.87 XIAP (0.33) MAPK1ALDH1A1TSHRXIAPBIRC2
SCHEMBL25753072 0.84 PIK3CD (0.42) MAPK1PDE9ATSHR
SCHEMBL27199438 0.83 MEN1 (0.40) MAPK1ALDH1A1TSHRXIAPBIRC2
SCHEMBL27199446 0.80 MAPK1 (0.43) MAPK1ALDH1A1TSHRKMONPC1
SCHEMBL27199485 0.79 BRD4 (0.38) MAPK1PDE9AALDH1A1TSHRPDE1B
SCHEMBL27199360 0.78 HTR2A (0.39) MAPK1ALDH1A1KMOHTR2AHTR2C
SCHEMBL27199710 0.78 MAPK1 (0.41) MAPK1ALDH1A1KMOPDE1BNPC1
SCHEMBL30895051 0.77 PIK3CD (0.39) MAPK1PTGER3
SCHEMBL27199418 0.77 MAPK1 (0.42) MAPK1ALDH1A1TSHRKMOHTR2A
SCHEMBL27199684 0.77 MAPK1 (0.43) MAPK1ALDH1A1KMONPC1RAB9A

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 MAPK1 372/4885PDE9A 3221/4885ALDH1A1 4805/4885

“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.