SCHEMBL3169059

SCHEMBL3169059

Nc1cnc2cc(Br)ccc2c1NCCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LRRK2 Q5S007 1/20 0.38
NUDT1 P36639 1/20 0.37
NQO1 P15559 1/20 0.36
NQO2 P16083 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TERT O14746 1/20 0.35
CSF1R P07333 1/20 0.34
SYK P43405 1/20 0.34
EGFR P00533 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3861875 0.87 CYP1A2 (0.42) MAPK1CYP1A2CYP3A4CYP2D6CSF1R
SCHEMBL3867644 0.84 RXFP1 (0.40) MAPK1CYP1A2CYP3A4CYP2D6NQO2
SCHEMBL5319030 0.84 MAPK1 (0.40) MAPK1CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL19475071 0.82 TOP2A (0.41) MAPK1LMNAMAPTCYP1A2CYP3A4
SCHEMBL202429 0.81 MAPK1 (0.42) KMT2AATMMAPK1LMNACYP1A2
SCHEMBL6219586 0.81 MAPK1 (0.40) MAPK1CYP1A2CYP3A4CYP2D6CSF1R
SCHEMBL3861888 0.81 MAPK1 (0.41) MAPK1LMNAMAPTCYP1A2CYP3A4
SCHEMBL4524933 0.81 ALDH1A1 (0.40) KMT2AMAPK1LMNAMAPTCYP1A2
SCHEMBL5618144 0.81 SYK (0.39) MAPK1CYP1A2CYP3A4CYP2D6SYK
SCHEMBL10728537 0.81 POLB (0.63) POLBRAD52KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-7648997-B2 Immunomodulators for inducing cytokine biosynthesis, for treatment of diseases including viral and neoplastic diseases; 1-[3-(Aminooxy)propyl]-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine; N-[3-(4-Amino-2-propyl-1H-imidazo[4,5-c]quinolin-1-yl)propoxy]cyclopropanecarboxamide COLEY PHARMACEUTICAL GROUP, INC. (US) 2010-01-19 US disclosed
EP-1653955-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP disclosed
EP-1653914-A4 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-29 EP disclosed
US-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-05-15 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
EP-1653914-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
EP-1653955-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
WO-2005018551-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO disclosed
WO-2005018556-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 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 (2 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-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines IFNG, IRF3, IL2 POLB 1143/4885RAD52 971/4885KMT2A 1181/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 POLB 983/4885RAD52 1097/4885KMT2A 2150/4885

“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.