SCHEMBL27166457

SCHEMBL27166457

Cc1cc(N)c(C#N)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
PIK3CD O00329 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP8 P40818 1/20 0.33
TERT O14746 1/20 0.33
CYP1A2 P05177 2/20 0.33
CD44 P16070 1/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 3/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL29977923 1.00 KDM4E (0.41) KDM4EPIK3CDCYP3A4TSHRMAPK1
SCHEMBL12099576 0.77 KDM4E (0.38) KDM4ETSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL25187828 0.75 MBOAT4 (0.35) KDM4ESMN1; SMN2USP8KMT2AMEN1
SCHEMBL30442601 0.75 MBOAT4 (0.35) KDM4ESMN1; SMN2USP8KMT2AMEN1
SCHEMBL38665080 0.72 CYP3A4 (0.46) KDM4ECYP3A4TSHRMAPK1NOS3
SCHEMBL21587311 0.72 CYP3A4 (0.46) KDM4ECYP3A4TSHRMAPK1NOS3
SCHEMBL25876633 0.71 USP8 (0.32) KDM4ESMN1; SMN2USP8
SCHEMBL20280105 0.70 CYP3A4 (0.43) KDM4ECYP3A4TSHRMAPK1NOS3
SCHEMBL24052773 0.70 CYP3A4 (0.39) KDM4ECYP3A4TSHRMAPK1NOS3
SCHEMBL21199387 0.69 GRM6 (0.42) KDM4ECYP3A4TSHRALDH1A1POLB

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-20240309003-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2024-09-19 US disclosed
EP-4334295-A2 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE Vigil Neuoscience, Inc. (US) 2024-03-13 EP disclosed
WO-2022236272-A2 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2022-11-10 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-20240309003-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 KDM4E 3817/4885PIK3CD 3257/4885CYP3A4 1273/4885

“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.