SCHEMBL30601980

SCHEMBL30601980

CCC1(CCOc2ccc(N)nc2)CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
EPX P11678 1/20 0.36
LPO P22079 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCF1 P14598 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 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
SCHEMBL30601967 0.77 CHRNB2 (0.51)
SCHEMBL31090403 0.75 CHRNA7 (0.47) ALDH1A1LTA4H
SCHEMBL1920453 0.74 RAB9A (0.54) MPOTPOEPXLPONPC1
SCHEMBL4156883 0.74 RAB9A (0.54) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL23634063 0.74 NCF1 (0.47) MPOTPOEPXLPONPC1
SCHEMBL360929 0.70 TDP1 (0.56) MPOTPOEPXLPONPC1
SCHEMBL31538780 0.70 NR5A1 (0.53) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL3333555 0.70 NOS3 (0.42) MPOTPOEPXLPONCF1
SCHEMBL30261608 0.70 MPO (0.34) MPOTPOEPXLPONCF1
SCHEMBL23634060 0.69 NCF1 (0.56) MPOTPOEPXLPONCF1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179022-A1 COMPOUND USED AS TYK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI ZHIGEN PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2025-06-05 US disclosed
EP-4488268-A1 COMPOUND USED AS TYK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF Shanghai Zhigen Pharmaceutical & Technology Co. Ltd. (CN) 2025-01-08 EP disclosed
WO-2023165574-A1 COMPOUND USED AS TYK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海致根医药科技有限公司 2023-09-07 WO 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-20250179022-A1 COMPOUND USED AS TYK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF TYK2, WEE2, WEE1 MPO 4512/4885TPO 1229/4885EPX 4052/4885

“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.