SCHEMBL3861256

SCHEMBL3861256

CC(N)(CN)Cc1c([N+](=O)[O-])cnc2cc(-c3ccccc3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 11/20 0.36
PIN1 Q13526 1/20 0.35
THRB P10828 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
LRRK2 Q5S007 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MAPT P10636 1/20 0.33
ABCB1 P08183 1/20 0.32

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
SCHEMBL3862005 0.84 PTGES (0.41) MAPT
SCHEMBL3861252 0.76 PIN1 (0.38) CSF1RPIN1THRBLRRK2CRHBP
SCHEMBL4157336 0.74 PDE10A (0.39) MAPT
SCHEMBL3865918 0.73 PIN1 (0.48) CSF1RPIN1CYP11B1CYP11B2CRHBP
SCHEMBL3865236 0.73 CRHBP (0.53) CSF1RPIN1CRHBPCRHR2MAPT
SCHEMBL15923536 0.69 CYP1A2 (0.45)
SCHEMBL3862164 0.69 CSF1R (0.41) CSF1RTHRBLRRK2ABCB1
SCHEMBL841579 0.68 MAPT (0.35) MAPT
Cyclohexane SCHEMBL3862266 0.68 CSF1R (0.36) CSF1RLRRK2ABCB1
SCHEMBL3862148 0.67 HPGD (0.43) CSF1RLRRK2MAPTABCB1

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-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 CSF1R 294/4885PIN1 1271/4885THRB 1937/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 CSF1R 294/4885PIN1 1271/4885THRB 1937/4885

“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.