SCHEMBL14985677

SCHEMBL14985677

Cc1ccc2c(c1)NC(=O)c1ccc(C)cc1N2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1G1 Q9HCP0 1/20 0.77
ACVR1 Q04771 2/20 0.66
LRRK2 Q5S007 2/20 0.66
ROS1 P08922 1/20 0.66
CDK5 Q00535 1/20 0.66
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.58
CYP1A2 P05177 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 1/20 0.58
MCL1 Q07820 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CHEK1 O14757 10/20 0.52
PDGFRA P16234 1/20 0.48
FER P16591 1/20 0.48
LTK P29376 1/20 0.48
CDK8 P49336 1/20 0.48

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
SCHEMBL14985676 0.89 ACVR1 (0.83) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL18462586 0.89 ACVR1 (0.83) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL2756590 0.87 CSNK1G1 (0.61) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL17656221 0.87 CSNK1G1 (0.61) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL9980151 0.87 CSNK1G1 (0.61) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL9185276 0.87 CSNK1G1 (1.00) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL4192180 0.82 CES1 (0.62) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL30398896 0.82 CES1 (0.62) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL3624915 0.81 CSNK1G1 (0.67) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL25666640 0.81 CSNK1G1 (0.67) CSNK1G1ACVR1LRRK2ROS1CDK5

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-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 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 (4 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CSNK1G1 2979/4885ACVR1 4183/4885LRRK2 2533/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CSNK1G1 2979/4885ACVR1 4183/4885LRRK2 2533/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CSNK1G1 2979/4885ACVR1 4183/4885LRRK2 2533/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CSNK1G1 2979/4885ACVR1 4183/4885LRRK2 2533/4885

“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.