SCHEMBL4958286

SCHEMBL4958286

Cc1nc(N(C)C)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.42
EDNRA P25101 1/20 0.36
SMPD3 Q9NY59 2/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
RAB9A P51151 6/20 0.33
NPC1 O15118 5/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CRHR1 P34998 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
EGFR P00533 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12093314 0.76 NOS3 (0.46) NCF1SMPD3USP2CYP1A2CYP3A4
SCHEMBL16053200 0.76 NCF1 (0.41) NCF1SMPD3USP2CYP1A2CYP3A4
SCHEMBL21566140 0.75 ADK (0.41) RAB9ACRHR1SMN1; SMN2
SCHEMBL7879316 0.73 SMPD3 (0.46) NCF1SMPD3USP2CYP1A2CYP3A4
SCHEMBL26389400 0.73 NCF1 (0.42) NCF1SMPD3USP2CYP1A2CYP3A4
SCHEMBL12093307 0.73 NCF1 (0.42) NCF1SMPD3USP2CYP1A2CYP3A4
SCHEMBL15300995 0.72 NCF1 (0.38) NCF1SMPD3CYP1A2KMT2AMEN1
SCHEMBL25332545 0.71 CYP1A2 (0.37) NCF1CYP1A2CYP3A4MAPK1HSD17B10
SCHEMBL30469075 0.71 CYP1A2 (0.37) NCF1CYP1A2CYP3A4MAPK1HSD17B10
SCHEMBL156190 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676927-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS Synnovation Therapeutics, Inc. (US) 2026-01-14 EP disclosed
WO-2024187049-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2024-09-12 WO disclosed
CN-101160304-A Substituted aryl 1,4-pyrazine derivatives PFIZER (US) 2008-04-09 CN disclosed
EP-1871763-A1 SUBSTITUTED ARYL 1.4-PYRAZlNE DERIVATIVES Pfizer Products Inc. (US) 2008-01-02 EP disclosed
WO-2006114666-A1 SUBSTITUTED ARYL 1,4-PYRAZlNE DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-11-02 WO disclosed
US-20060211710-A1 Substituted aryl 1,4-pyrazine derivatives PFIZER INC 2006-09-21 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-20060211710-A1 Substituted aryl 1,4-pyrazine derivatives CRHR1, CRHR2, CRH NCF1 1298/4885EDNRA 232/4885SMPD3 3880/4885

“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.