SCHEMBL17272550

SCHEMBL17272550

CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCOC2)c(=O)n4C)cn1.CS(=O)(=O)O

nearest known ligand 0.91

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA known ✓ P42336 17/20 0.91
▸ PIK3CD known ✓ O00329 1/20 0.83
▸ PIK3CB known ✓ P42338 1/20 0.83
▸ PIK3CG known ✓ P48736 1/20 0.83
▸ ATM Q13315 19/20 0.91
▸ MTOR P42345 18/20 0.91
▸ ATR Q13535 5/20 0.91
▸ KCNH2 Q12809 1/20 0.84
▸ PRKDC P78527 1/20 0.83

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
SCHEMBL17272539 1.00 ATM (0.91) ATMMTORPIK3CAATRKCNH2
SCHEMBL17246341 0.96 ATM (1.00) ATMMTORPIK3CAATRKCNH2
SCHEMBL17242588 0.96 ATM (1.00) ATMMTORPIK3CAATRKCNH2
SCHEMBL17246304 0.96 ATM (1.00) ATMMTORPIK3CAATRKCNH2
SCHEMBL17272548 0.94 ATM (0.91) ATMMTORPIK3CAATRKCNH2
SCHEMBL17241780 0.91 ATM (1.00) ATMMTORPIK3CAATRKCNH2
SCHEMBL17246359 0.91 ATM (1.00) ATMMTORPIK3CAATRKCNH2
SCHEMBL20006498 0.91 ATM (1.00) ATMMTORPIK3CAATRKCNH2
SCHEMBL29355614 0.91 ATM (1.00) ATMMTORPIK3CAATRKCNH2
SCHEMBL30410610 0.91 ATM (1.00) ATMMTORPIK3CAATRKCNH2

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
US-20190185468-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ASTRAZENECA UK LIMITED (GB) 2019-06-20 — — US disclosed
US-10189834-B2 Imidazo[4,5-c]quinolin-2-one compounds and their use in treating cancer ASTRAZENECA AB (SE) 2019-01-29 — — US disclosed
US-20180134699-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ASTRAZENECA UK LIMITED (GB) 2018-05-17 — — US disclosed
EP-3140303-B1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-03-28 — — EP disclosed
US-9822111-B2 Imidazo[4,5-c]quinolin-2-one compounds and their use in treating cancer ASTRAZENECA AB (SE) 2017-11-21 — — US disclosed
US-20160368920-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2016-12-22 — — US disclosed
US-9428503-B2 Imidazo[4,5-c]quinolin-2-one compounds and their use in treating Cancer ASTRAZENECA AB (SE) 2016-08-30 — — US disclosed
US-20150336952-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2015-11-26 — — 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-20180134699-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ATM, CHEK2, CHEK1 PIK3CA 229/4885PIK3CD 443/4885PIK3CB 469/4885
US-20190185468-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ATM, CHEK2, CHEK1 PIK3CA 229/4885PIK3CD 443/4885PIK3CB 469/4885
US-20160368920-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ATM, CHEK2, CHEK1 PIK3CA 229/4885PIK3CD 443/4885PIK3CB 469/4885
US-20150336952-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ATM, CHEK2, CHEK1 PIK3CA 229/4885PIK3CD 443/4885PIK3CB 469/4885
US-10189834-B2 Imidazo[4,5-c]quinolin-2-one compounds and their use in treating cancer ATM, CHEK2, CHEK1 PIK3CA 229/4885PIK3CD 443/4885PIK3CB 469/4885

“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.

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