SCHEMBL17031771

SCHEMBL17031771

CC(C)c1cccc(-c2cn[nH]c2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.49
▸ AKT2 P31751 2/20 0.47
▸ AKT1 P31749 2/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ CLK2 P49760 5/20 0.40
▸ HIPK1 Q86Z02 5/20 0.40
▸ HIPK2 Q9H2X6 5/20 0.40
▸ HIPK3 Q9H422 5/20 0.40
▸ CLK4 Q9HAZ1 5/20 0.40
▸ DYRK2 Q92630 3/20 0.40
▸ ILK Q13418 1/20 0.40
▸ CLK1 P49759 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ROCK2 O75116 5/20 0.38
▸ ROCK1 Q13464 4/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ CHEK2 O96017 1/20 0.38

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
SCHEMBL3510580 0.79 AKT2 (0.53) MAPK8AKT2AKT1IRAK4MAPT
SCHEMBL13086435 0.78 MAPK8 (0.43) MAPK8AKT2AKT1MAPTCLK2
SCHEMBL15326994 0.77 CCR1 (0.54) MAPK8AKT2AKT1IRAK4CLK2
SCHEMBL29590240 0.77 CCR1 (0.54) MAPK8AKT2AKT1IRAK4CLK2
SCHEMBL12922238 0.75 CCR1 (0.46) MAPK1
SCHEMBL30729450 0.75 AKT2 (0.53) MAPK8AKT2AKT1IRAK4MAPT
SCHEMBL2609332 0.74 KMT2A (0.60) MAPT
SCHEMBL20998476 0.74 AKT2 (0.52) MAPK8AKT2AKT1IRAK4MAPT
SCHEMBL13464878 0.74 AKT2 (0.52) MAPK8AKT2AKT1IRAK4MAPT
SCHEMBL14328175 0.73 AKT1 (0.47) MAPK8AKT2AKT1IRAK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 — — US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 — — US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 — — US disclosed
US-10550140-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-04 — — US disclosed
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-02-14 — — US disclosed
US-20190031692-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-01-31 — — US disclosed
US-10005802-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-26 — — US disclosed
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-02-01 — — US disclosed
US-9828396-B2 Alkyne compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-11-28 — — US disclosed
US-9796741-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-24 — — US disclosed
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 — — US disclosed
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 — — US disclosed
US-9695205-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-04 — — US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 — — US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 — — 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 (10 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-10550140-B2 Ether compounds for treatment of complement mediated disorders TFPI, CFD, C9 MAPK8 1026/4885AKT2 1863/4885AKT1 2523/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH MAPK8 188/4885AKT2 692/4885AKT1 685/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH MAPK8 1202/4885AKT2 2098/4885AKT1 1954/4885
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 MAPK8 1584/4885AKT2 1703/4885AKT1 1936/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MAPK8 568/4885AKT2 651/4885AKT1 763/4885
US-10005802-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, CFH MAPK8 815/4885AKT2 847/4885AKT1 1709/4885
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 MAPK8 1026/4885AKT2 1863/4885AKT1 2523/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP MAPK8 1645/4885AKT2 593/4885AKT1 1265/4885
US-20190031692-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH MAPK8 1202/4885AKT2 2098/4885AKT1 1954/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH MAPK8 607/4885AKT2 1414/4885AKT1 1648/4885

“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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