SCHEMBL2935744

SCHEMBL2935744

CC(=O)N1CCC(c2cc[c]c(C3=CCCNC3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.45
CSF1R P07333 2/20 0.36
KIT P10721 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4B Q07343 1/20 0.35
TLR7 Q9NYK1 6/20 0.35
TLR8 Q9NR97 5/20 0.35
TLR9 Q9NR96 3/20 0.35
KDM4E B2RXH2 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CREBBP Q92793 1/20 0.34
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 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
SCHEMBL2942972 0.79 QDPR (0.49) QDPRCSF1RKITCYP2C19PDE4B
SCHEMBL2942971 0.77 QDPR (0.46) QDPRCSF1RKITCYP2C19PDE4B
Trifluoroacetic Acid SCHEMBL3085129 0.74 QDPR (0.43) QDPRCSF1RKITCYP2C19TLR7
SCHEMBL2908024 0.72 CSF1R (0.48) QDPRCSF1RKITCYP2C19PRKAA2
Trifluoroacetic Acid SCHEMBL2908020 0.72 QDPR (0.41) QDPRCSF1RKITCYP2C19PRKAB2
SCHEMBL18240980 0.69 CSF1R (0.41) CSF1RKITCYP2C19TLR7TLR8
SCHEMBL694871 0.68 QDPR (0.58) QDPRKDM4EBRD4ALDH1A1POLB
SCHEMBL2914647 0.65 CSF1R (0.43) CSF1RKITCYP2C19ALDH1A1HDAC1
SCHEMBL4057863 0.65 CSF1R (0.49) CSF1RKITCYP2C19TLR7TLR8
SCHEMBL4983397 0.64 CSF1R (0.43) CSF1RKITCYP2C19PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526731-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2016-12-27 US disclosed
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 US disclosed
US-8933091-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
US-8697716-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2014-04-15 US disclosed
US-20140005225-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-01-02 US disclosed
EP-2397138-B1 Aromatic amide derivatives as C-KIT kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-11 EP disclosed
EP-2222298-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER Janssen Pharmaceutica N.V. (BE) 2010-09-01 EP disclosed
WO-2009058801-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2008-02-28 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 (3 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-20140005225-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 QDPR 1086/4885CSF1R 2973/4885KIT 1/4885
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 QDPR 1086/4885CSF1R 2973/4885KIT 1/4885
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 QDPR 1086/4885CSF1R 2973/4885KIT 1/4885

“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.