SCHEMBL124933

SCHEMBL124933

Oc1cccc2s[c]nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
TSHR P16473 2/20 0.41
METAP2 P50579 2/20 0.41
MMP2 P08253 2/20 0.41
CHRM1 P11229 1/20 0.41
COMT P21964 1/20 0.41
ADRA1A P35348 1/20 0.41
METAP1 P53582 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ACHE P22303 1/20 0.40
KDM4E B2RXH2 5/20 0.37
RAB9A P51151 2/20 0.37
KDM4A O75164 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL10411212 0.78
SCHEMBL558555 0.75 PSMB8 (0.44) TSHRRAB9ADYRK1AALDH1A1MAPT
SCHEMBL1696135 0.75 PSMD14 (0.36)
SCHEMBL211528 0.75 ALDH1A1 (0.44) TSHRACHEL3MBTL1ALDH1A1MAPT
SCHEMBL558291 0.75 SMN1; SMN2 (0.44) TSHRKDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL6098342 0.75 KDM4E (0.39) PDPK1TSHRKDM4ERAB9AL3MBTL1
SCHEMBL2444608 0.75 ALDH1A1 (0.44) TSHRMMP2KDM4EL3MBTL1ALDH1A1
SCHEMBL4337978 0.72 LIMK1 (0.39) METAP2ALDH1A1HPGDHSD17B10RET
SCHEMBL558130 0.72 PSMB8 (0.35) TSHRKDM4ERAB9AALDH1A1HPGD
SCHEMBL8932315 0.72 TTR (0.36) TSHRCOMTALDH1A1KMT2ACYP1A2

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US claimed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
EP-2493894-B1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-29 EP claimed
EP-2428577-B1 Preparation of tyrosinase-inhibiting hydroxybenzyl and hydroxypyranonemethyl esters EASTMAN CHEM CO (US) 2014-01-22 EP claimed
EP-2493893-B1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP claimed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US claimed
US-8278320-B2 Azabicyclo[2.2.1]heptane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US claimed
EP-2493893-A1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
US-20080306144-A1 Hydroxybenzyl or hydroxypyranonemethyl esters as tyrosinase inhibitors EASTMAN CHEMICAL COMPANY 2008-12-11 US claimed
WO-2008143777-A1 HYDROQUINONE DERIVATIVE SKIN BRIGHTENING COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2008-11-27 WO claimed
US-20080286219-A1 Hydroquinone derivative skin brightening compounds EASTMAN CHEMICAL COMPANY 2008-11-20 US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
EP-0188001-B1 OPTICAL INFORMATION RECORDING MEDIUM KURARAY CO., LTD. (JP) 1990-05-02 EP claimed
US-4686143-A MONOAZOMETAL COMPLEX COMPOUND RECORDING LAYER KURARAY CO., LTD. (JP) 1987-08-11 US claimed
EP-0188001-A2 Optical information recording medium KURARAY CO., LTD. (JP) 1986-07-23 EP claimed

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-20080306144-A1 Hydroxybenzyl or hydroxypyranonemethyl esters as tyrosinase inhibitors TYR, TH, HAAO PDPK1 423/4885TSHR 4133/4885METAP2 1611/4885
US-20080286219-A1 Hydroquinone derivative skin brightening compounds NQO1, CUTA, TYR PDPK1 1861/4885TSHR 4349/4885METAP2 4137/4885
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA PDPK1 22/4885TSHR 2075/4885METAP2 3636/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 PDPK1 4290/4885TSHR 2791/4885METAP2 3237/4885
US-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 PDPK1 666/4885TSHR 4313/4885METAP2 2858/4885

“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.