SCHEMBL18150613

SCHEMBL18150613

OB(O)c1cnc(-n2cccn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
ADORA2A P29274 8/20 0.37
HTT P42858 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
NOTUM Q6P988 1/20 0.35
TDO2 P48775 1/20 0.35
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL32810 0.75 KDM4E (0.46) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL28328153 0.75 NOTUM (0.52) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL27992065 0.75 ADORA2A (0.47) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL2898655 0.75 ADORA2A (0.47) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL18218832 0.75 ALDH1A1 (0.44) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL23094440 0.74 LMNA (0.40) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL4637527 0.73 LMNA (0.64) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL29955388 0.72 CA4 (0.32)
SCHEMBL540011 0.72 NOTUM (0.58) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL24921496 0.70 NPC1 (0.42) LMNAKDM4EALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 LMNA 2419/4885KDM4E 4096/4885ALDH1A1 1896/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 LMNA 2419/4885KDM4E 4096/4885ALDH1A1 1896/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 LMNA 2419/4885KDM4E 4096/4885ALDH1A1 1896/4885

“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.