SCHEMBL4489458

SCHEMBL4489458

O=c1cc(-c2ccccc2)cc2n1CCCN2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
GLO1 Q04760 3/20 0.39
HPGD P15428 2/20 0.38
MAPK10 P53779 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RPS6KA3 P51812 4/20 0.36
RPS6KA2 Q15349 2/20 0.35
PARP1 P09874 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11364786 0.95 ALDH1A1 (0.43) L3MBTL1HSP90AA1KDM4EALDH1A1POLB
SCHEMBL4482497 0.90 HSP90AA1 (0.44) L3MBTL1HSP90AA1KDM4EALDH1A1GLO1
SCHEMBL11365725 0.81 CYBB (0.39) L3MBTL1KDM4EALDH1A1POLBHSD17B10
SCHEMBL11362511 0.73 SMN1; SMN2 (0.38) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL21920713 0.73 KDM4E (0.41) KDM4EALDH1A1POLBHPGDMAPK10
SCHEMBL6493490 0.72 ALDH1A1 (0.55) KDM4EALDH1A1POLBHPGDMAPK10
SCHEMBL11366454 0.72 PARP1 (0.47) KDM4EALDH1A1HSD17B10PARP1MEN1
SCHEMBL11362227 0.69 GLO1 (0.39) L3MBTL1HSP90AA1KDM4EALDH1A1GLO1
SCHEMBL11364424 0.69 GLO1 (0.39) L3MBTL1HSP90AA1KDM4EALDH1A1GLO1
SCHEMBL23861313 0.67 NPC1 (0.40) L3MBTL1HPGDHSD17B10RPS6KA3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288438-A Nitrogen-containing heterocyclic ring derivatives and analgesic and anti-inflammatory compositions and methods employing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 US claimed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 WO disclosed
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4288599-A VAPOR PHASE HALOGENATION OF B-PICOLINE WITH CHLORINE AND HYDROGEN FLUORIDE ISHIHARA SANGYO KAISHA LTD. (JP) 1981-09-08 US disclosed
US-4288438-A Nitrogen-containing heterocyclic ring derivatives and analgesic and anti-inflammatory compositions and methods employing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 US disclosed
US-4284778-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4251533-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-02-17 US disclosed
US-4186200-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-01-29 US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 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 (1 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT L3MBTL1 946/4885HSP90AA1 1475/4885KDM4E 3977/4885

“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.