SCHEMBL7985244

SCHEMBL7985244

c1ccc2c(c1)NCC1CCCN21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTR2C P28335 10/20 0.43
HTR2B P41595 7/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
OGFRL1 Q5TC84 2/20 0.43
OPRL1 P41146 1/20 0.38
HTR2A P28223 1/20 0.37
NOS1 P29475 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL32677827 1.00 GAA (1.00) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL7982332 1.00 GAA (1.00) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL7968472 1.00 GAA (1.00) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL29978990 0.95 GAA (0.90) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL15523034 0.93 GAA (0.88) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL15522726 0.79 GAA (0.66) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL30729380 0.78 MEN1 (0.64) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL26092480 0.78 GAA (0.64) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL30910113 0.78 GAA (0.64) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL3260203 0.78 MEN1 (0.64) GAAMEN1KMT2AHTR2CHTR2B

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
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2020-09-10 US disclosed
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2019-03-07 US disclosed
US-10118926-B2 Tricyclic quinoline and quinoxaline derivatives AbbVie Deutschland GmbH & Co. KG (DE) 2018-11-06 US disclosed
EP-3218374-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO disclosed
EP-2895485-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2015-07-22 EP disclosed
US-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 US disclosed
WO-2014041131-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 WO disclosed
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed
US-4446323-A Tetra- and hexa-hydropyrrolo(1,2-a)quinoxaline and azaquinoxaline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1984-05-01 US disclosed
US-4446323-A Tetra- and hexa-hydropyrrolo(1,2-a)quinoxaline and azaquinoxaline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1984-05-01 US disclosed
US-4446323-A Tetra- and hexa-hydropyrrolo(1,2-a)quinoxaline and azaquinoxaline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1984-05-01 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 (4 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-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A GAA 3655/4885MEN1 2568/4885KMT2A 1461/4885
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A GAA 3655/4885MEN1 2568/4885KMT2A 1461/4885
US-10118926-B2 Tricyclic quinoline and quinoxaline derivatives HTR2C, HTR2A, HTR5A GAA 3655/4885MEN1 2568/4885KMT2A 1461/4885
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A GAA 3655/4885MEN1 2568/4885KMT2A 1461/4885

“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.