SCHEMBL3265280

SCHEMBL3265280

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.43
ADRB2 P07550 1/20 0.42
PARP1 P09874 3/20 0.41
CSNK2A1 P68400 1/20 0.40
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
GAA P10253 4/20 0.37
MGAM O43451 3/20 0.37
SI P14410 3/20 0.37
MGAM2 Q2M2H8 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3421747 0.84 HTT (0.52) HTTALDH1A1ADRB2PARP1CSNK2A1
SCHEMBL6507007 0.81 ALDH1A1 (0.57) HTTALDH1A1ADRB2PARP1CSNK2A1
SCHEMBL24463132 0.81 CSNK2A1 (0.46) HTTALDH1A1ADRB2PARP1CSNK2A1
SCHEMBL1285968 0.81 ADRB2 (0.55) HTTALDH1A1ADRB2PARP1CSNK2A1
SCHEMBL13594653 0.80 ADRB2 (0.52) HTTALDH1A1ADRB2PARP1CSNK2A1
SCHEMBL353026 0.79 CBFB (0.51) HTTALDH1A1ADRB2PARP1KDM4E
SCHEMBL12402512 0.78 HTT (0.42) HTTALDH1A1ADRB2PARP1CSNK2A1
SCHEMBL1286019 0.78 TSHR (0.43) HTTALDH1A1ADRB2PARP1CSNK2A1
SCHEMBL3269250 0.78 HSD17B10 (0.40) ALDH1A1PARP1PDE3BPDE3AGAA
SCHEMBL12018402 0.78 HTT (0.42) HTTALDH1A1ADRB2PARP1CSNK2A1

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
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-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-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
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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 HTT 1821/4885ALDH1A1 2858/4885ADRB2 4484/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HTT 1821/4885ALDH1A1 2858/4885ADRB2 4484/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885ALDH1A1 2858/4885ADRB2 4484/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885ALDH1A1 2858/4885ADRB2 4484/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885ALDH1A1 2858/4885ADRB2 4484/4885

“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.