SCHEMBL4529555

SCHEMBL4529555

c1cc2cnc3[nH]ccc3n2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 6/20 0.51
HSD17B10 Q99714 3/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
AURKA O14965 5/20 0.47
KDR P35968 5/20 0.47
JAK1 P23458 4/20 0.47
FLT3 P36888 4/20 0.47
JAK2 O60674 4/20 0.47
TYK2 P29597 2/20 0.46
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CHEK1 O14757 1/20 0.40
LIMK1 P53667 1/20 0.40
MAPK14 Q16539 1/20 0.40
PRKCA P17252 1/20 0.38
MAPK1 P28482 5/20 0.37
MEN1 O00255 5/20 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
Hydrochloric Acid SCHEMBL30327435 0.74 AURKA (0.42) AURKAKDRJAK1FLT3JAK2
SCHEMBL1935026 0.71 KDR (0.42) AURKAKDRJAK1FLT3JAK2
SCHEMBL2316803 0.69 KDM4E (0.41) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL1078583 0.68 KDM4E (1.00) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL29673192 0.68 KDM4E (1.00) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL1934275 0.68 KDR (0.57) AURKAKDRJAK1FLT3JAK2
SCHEMBL12032323 0.68 JAK2 (0.54) AURKAKDRJAK1FLT3JAK2
SCHEMBL2315351 0.67 AURKA (0.42) AURKAKDRJAK1FLT3JAK2
SCHEMBL1933187 0.67 AURKA (0.43) ALDH1A1AURKAKDRJAK1FLT3
SCHEMBL29229124 0.66 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10GAAHPGD

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-20230082167-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2023-03-16 US disclosed
US-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2018-10-11 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 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-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 ALDH1A1 431/4885KDM4E 4050/4885HSD17B10 859/4885
US-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 ALDH1A1 431/4885KDM4E 4050/4885HSD17B10 859/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 ALDH1A1 431/4885KDM4E 4050/4885HSD17B10 859/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 ALDH1A1 431/4885KDM4E 4050/4885HSD17B10 859/4885
US-20230082167-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 ALDH1A1 431/4885KDM4E 4050/4885HSD17B10 859/4885

“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.