SCHEMBL4459434

SCHEMBL4459434

Cc1ccc(-c2nc(C=O)cs2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
HTR2B P41595 1/20 0.43
MAPT P10636 5/20 0.42
EIF4E P06730 2/20 0.41
ALDH1A1 P00352 7/20 0.41
THRB P10828 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MITF O75030 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL995671 0.83 TSHR (0.50) TSHRCYP3A4MAPTEIF4EALDH1A1
SCHEMBL996247 0.78 TSHR (0.45) TSHRCYP3A4MAPTEIF4EALDH1A1
SCHEMBL4469426 0.77 TSHR (0.44) TSHRCYP3A4MAPTEIF4EALDH1A1
SCHEMBL5506183 0.77 TSHR (0.44) TSHRCYP3A4MAPTEIF4EALDH1A1
SCHEMBL4466664 0.75 TSHR (0.42) TSHRCYP3A4MAPTEIF4EALDH1A1
SCHEMBL11189916 0.74 TSHR (0.72) TSHRCYP3A4MAPTALDH1A1LMNA
SCHEMBL995622 0.73 TSHR (0.49) TSHRCYP3A4MAPTALDH1A1LMNA
SCHEMBL5499615 0.73 TSHR (0.49) TSHRCYP3A4MAPTEIF4EALDH1A1
SCHEMBL27679522 0.73 RAB9A (0.63) MAPTEIF4EALDH1A1LMNACYP1A2
SCHEMBL4539676 0.71 MAPT (0.69) HTR2BMAPTALDH1A1LMNAMEN1

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-7560462-B2 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2009-07-14 US disclosed
US-20080214573-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-09-04 US disclosed
CN-101010316-A Compounds useful for inhibiting CHK1 ICOS CORP (US) 2007-08-01 CN disclosed
EP-1768977-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-04-04 EP disclosed
WO-2006014359-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-09 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-20080214573-A1 Compounds Useful for Inhibiting Chk1 ORC3, MCM3, CHEK1 TSHR 1478/4885CYP3A4 3598/4885HTR2B 4270/4885

“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.