SCHEMBL5989876

SCHEMBL5989876

Cc1nc2c(F)c(C)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
PARP1 P09874 3/20 0.41
HTT P42858 1/20 0.39
DHODH Q02127 2/20 0.38
GAA P10253 4/20 0.37
MGAM O43451 3/20 0.37
SI P14410 3/20 0.37
MGAM2 Q2M2H8 3/20 0.37
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CBFB Q13951 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 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
SCHEMBL8265189 0.84 HRH4 (0.46) ADRB2PARP1HTTDHODHGAA
SCHEMBL6506668 0.81 ADRB2 (0.55) ADRB2PARP1HTTDHODHGAA
SCHEMBL24463162 0.81 ADRB2 (0.41) ADRB2PARP1HTTDHODHGAA
SCHEMBL6508965 0.81 PARP1 (0.42) ADRB2PARP1HTTDHODHGAA
SCHEMBL13594653 0.80 ADRB2 (0.52) ADRB2PARP1HTTDHODHADORA3
SCHEMBL353026 0.79 CBFB (0.51) ADRB2PARP1HTTADORA3ALDH1A1
SCHEMBL18966965 0.78 DDAH1 (0.43) HTTGAAMGAMSIMGAM2
SCHEMBL12727166 0.78 ADRB2 (0.39) ADRB2PARP1HTTDHODHGAA
SCHEMBL10299139 0.78 ADRB2 (0.42) ADRB2PARP1HTTDHODHADORA3
SCHEMBL21608573 0.76 LMNA (0.48) ADRB2PARP1HTTDHODHGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
WO-2017098421-A1 BENZOTHIADIAZINE COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 WO disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 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 (5 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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADRB2 4484/4885PARP1 2308/4885HTT 1821/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ADRB2 4484/4885PARP1 2308/4885HTT 1821/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADRB2 4484/4885PARP1 2308/4885HTT 1821/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADRB2 4484/4885PARP1 2308/4885HTT 1821/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADRB2 4484/4885PARP1 2308/4885HTT 1821/4885

“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.