SCHEMBL9952584

SCHEMBL9952584

CN(C)Cc1cccc(-c2nc[c]s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
S1PR1 P21453 2/20 0.41
P2RY1 P47900 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CHUK O15111 1/20 0.37
INSR P06213 1/20 0.37
MAPK8 P45983 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
NOS1 P29475 1/20 0.37
PARP1 P09874 1/20 0.37
RORC P51449 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35

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
SCHEMBL9953827 0.80 PRKCI (0.47)
SCHEMBL9953406 0.73 PRMT6 (0.47) S1PR1ALDH1A1
SCHEMBL3140612 0.73 HTR7 (0.49) HTR7ATP4AATP4BS1PR1P2RY1
SCHEMBL17206220 0.72 DYRK1A (0.57) ALDH1A1TSHR
SCHEMBL3149460 0.71 ATP4A (0.44) HTR7ATP4AATP4BS1PR1TAAR1
SCHEMBL29864624 0.70 TAAR1 (0.67) HTR7TAAR1ALDH1A1TSHRNOS1
SCHEMBL3464184 0.70 TAAR1 (0.67) HTR7TAAR1ALDH1A1TSHRNOS1
SCHEMBL989636 0.69 ALDH1A1 (0.67) HTR7TAAR1ALDH1A1TSHRNOS1
SCHEMBL3140283 0.68 TAAR1 (0.51) HTR7ATP4AATP4BTAAR1ALDH1A1
SCHEMBL20031290 0.68 PRKCI (0.61) HTR7ATP4AATP4BTAAR1ALDH1A1

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-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
CN-103649079-A Hepatitis C inhibitor and application thereof ABBVIE INC 2014-03-19 CN disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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 (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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 HTR7 4349/4885ATP4A 1433/4885ATP4B 2282/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 HTR7 4349/4885ATP4A 1433/4885ATP4B 2282/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 HTR7 4349/4885ATP4A 1433/4885ATP4B 2282/4885

“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.