SCHEMBL4468465

SCHEMBL4468465

Cc1ccc(-c2cccnc2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2A6 P11509 3/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP17A1 P05093 1/20 0.44
POLB P06746 1/20 0.43
MAP2K4 P45985 1/20 0.43

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
SCHEMBL10554893 0.84 CYP11B1 (0.50) CYP2A6CYP3A4MAPK1MAPTCYP19A1
SCHEMBL10338913 0.84 CYP19A1 (0.58) MEN1KMT2ACYP2A6TSHRMAPK1
SCHEMBL29430772 0.82 CYP11B1 (0.48) KMT2ACYP2A6MAPK1CYP19A1CYP11B1
SCHEMBL22637141 0.82 CYP11B1 (0.48) KMT2ACYP2A6MAPK1CYP19A1CYP11B1
SCHEMBL10558720 0.82 MAPT (0.59) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL4464974 0.81 TSHR (0.55) MEN1KMT2ACYP3A4TSHRMAPK1
SCHEMBL2960968 0.81 ALDH1A1 (0.61) MEN1KMT2ACYP3A4TSHRMAPK1
SCHEMBL3237419 0.80 ALDH1A1 (0.65) KMT2ACYP2A6CYP3A4MAPK1MAPT
SCHEMBL30058255 0.80 ALDH1A1 (0.65) KMT2ACYP2A6CYP3A4MAPK1MAPT
SCHEMBL2976577 0.79 CYP11B1 (0.48) MEN1KMT2ACYP2A6MAPK1MAPT

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
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
US-6894062-B1 Quinoline derivatives PFIZER INC. (US) 2005-05-17 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-20080214573-A1 Compounds Useful for Inhibiting Chk1 ORC3, MCM3, CHEK1 MEN1 2300/4885KMT2A 3473/4885CYP2A6 3778/4885

“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.