SCHEMBL31400282

SCHEMBL31400282

COc1cccc2cnc(NCc3ccc(P(=O)(O)O)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HPGDS O60760 1/20 0.40
VNN1 O95497 3/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CCNT1 O60563 1/20 0.38

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
SCHEMBL29857496 0.77 PDE5A (0.58) ENPP1
SCHEMBL22299729 0.77 PDE5A (0.58) ENPP1
SCHEMBL22290818 0.74 KDM4E (0.45) HPGDSKDM4ESMN1; SMN2
SCHEMBL13313218 0.72 JAK2 (0.59) JAK2JAK1TYK2JAK3HPGDS
SCHEMBL13313235 0.71 JAK2 (0.53) JAK2JAK1TYK2JAK3HPGDS
SCHEMBL13348747 0.71 JAK2 (0.53) JAK2JAK1TYK2JAK3HPGDS
SCHEMBL22300106 0.69 MEN1 (0.42) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1634895 0.69 CA1 (0.51) KDM4ENPC1MAPTRAB9A
SCHEMBL13313229 0.69 JAK2 (0.53) JAK2JAK1TYK2JAK3HPGDS
SCHEMBL13348749 0.69 JAK2 (0.53) JAK2JAK1TYK2JAK3HPGDS

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-20250059218-A1 ENPP1 Inhibitors and Methods of Modulating Immune Response THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-02-20 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-20250059218-A1 ENPP1 Inhibitors and Methods of Modulating Immune Response ENPP1, STING1, ENPP2 JAK2 3515/4885JAK1 1776/4885TYK2 3045/4885

“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.