SCHEMBL9953406

SCHEMBL9953406

[c]1cnc(-c2cccc(CN3CCCC3)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
CNR2 P34972 4/20 0.45
CNR1 P21554 3/20 0.45
S1PR1 P21453 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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 0.77 PRKCI (0.47) CNR2ADORA2AADORA1
SCHEMBL28159097 0.77 DRD2 (0.51) PRMT6HRH3SMN1; SMN2ALDH1A1TDP1
SCHEMBL27509486 0.75 PRMT6 (0.49) PRMT6HRH3SMN1; SMN2ALDH1A1TDP1
SCHEMBL9952584 0.73 HTR7 (0.43) ALDH1A1S1PR1
SCHEMBL3425973 0.73 CYP2D6 (0.65) PRMT6HRH3SMN1; SMN2ALDH1A1TDP1
SCHEMBL27491995 0.72 PRMT6 (0.45) PRMT6HRH3SMN1; SMN2ALDH1A1TDP1
SCHEMBL22310287 0.72 S1PR1 (0.50) PRMT6HRH3SMN1; SMN2ALDH1A1TDP1
SCHEMBL23440312 0.71 CYP2D6 (0.68) PRMT6HRH3SMN1; SMN2ALDH1A1TDP1
SCHEMBL11192726 0.70 PRMT6 (0.78) PRMT6HRH3SMN1; SMN2ALDH1A1TDP1
SCHEMBL11339852 0.70 PRMT6 (0.78) PRMT6HRH3SMN1; SMN2ALDH1A1TDP1

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 8 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
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 PRMT6 3018/4885HRH3 4536/4885SMN1; SMN2 4753/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 PRMT6 3018/4885HRH3 4536/4885SMN1; SMN2 4753/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 PRMT6 3018/4885HRH3 4536/4885SMN1; SMN2 4753/4885

“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.