SCHEMBL6509801

SCHEMBL6509801

Cc1[nH]nc2c1c(=O)[nH]c1ccc([N+](=O)[O-])cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.67
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
PTGS2 P35354 2/20 0.53
PARP1 P09874 2/20 0.52
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
FASN P49327 1/20 0.48
CSF1R P07333 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6507585 0.79 CHEK1 (1.00) CHEK1LMNACSF1R
SCHEMBL6508962 0.79 CHEK1 (0.74) CHEK1PARP1MEN1POLBKMT2A
SCHEMBL6046750 0.79 CHEK1 (0.74) CHEK1CSF1R
SCHEMBL6514882 0.79 CHEK1 (0.74) CHEK1PARP1CSF1R
Hydrochloric Acid SCHEMBL6508722 0.77 CHEK1 (0.72) CHEK1PARP1CSF1R
SCHEMBL4006355 0.73 CHEK1 (1.00) CHEK1MAPTMEN1ALDH1A1POLB
SCHEMBL4011471 0.71 ALDH1A1 (0.68) CA12CA9PARP1MAPTLMNA
SCHEMBL3025195 0.71 CA12 (1.00) CA12CA9PARP1MAPTLMNA
SCHEMBL30312308 0.71 ALDH1A1 (0.68) CA12CA9PARP1MAPTLMNA
SCHEMBL7251641 0.71 PARP1 (0.66) CA12CA9PTGS2PARP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CHEK1 3/4885CA12 4451/4885CA9 3301/4885

“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.