SCHEMBL6980942

SCHEMBL6980942

CCOC(=O)c1nnc2ccc(I)cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRA6 Q16445 1/20 0.45
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
KDM4E B2RXH2 2/20 0.38
PDE4A P27815 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL10861101 0.84 ALDH1A1 (0.47) KDM4EKMT2AMAPTHSD17B10ALDH1A1
SCHEMBL10861354 0.80 KDM4E (0.51) KDM4EMAPK1KMT2AL3MBTL1MAPT
SCHEMBL27586565 0.78 DYRK1A (0.41) MAPTALDH1A1SMN1; SMN2CDK9BTK
SCHEMBL1241163 0.78 KMT2A (0.43) CA12CA1CA2CA7CA9
SCHEMBL1616605 0.77 MAPK1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL11741808 0.77 TSHR (0.44) CA1CA2MAPK1KMT2AL3MBTL1
SCHEMBL11608808 0.77 TSHR (0.39) KDM4EMAPK1KMT2AL3MBTL1MAPT
SCHEMBL6713684 0.76 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23145076 0.75 KDM4E (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29744320 0.75 KDM4E (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-1265873-B1 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2003-10-15 EP disclosed
US-6624160-B2 Especially infections of herpes simplex virus type 1, 2, 6, 7, or 8, varicella zoster virus, human cytomegalovirus or epstein-Barr virus; enzyme inhibitors of virus DNA polymerase PHARMACIA & UPJOHN CO. 2003-09-23 US disclosed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
EP-1265873-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US disclosed
US-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-18 US disclosed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 WO disclosed
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 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 (2 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-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents HAVCR2, ZC3HAV1, HCFC1 GABRA1 3149/4885GABRG2 3640/4885GABRB3 1866/4885
US-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, EIF2AK2 GABRA1 4517/4885GABRG2 4690/4885GABRB3 4252/4885

“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.