SCHEMBL12940652

SCHEMBL12940652

CC(C)c1cnc2cccnc2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
ALDH1A1 P00352 3/20 0.38
MAPK14 Q16539 3/20 0.34
KDM4E B2RXH2 1/20 0.34
OGA O60502 1/20 0.33
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32
PRMT5 O14744 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL12338379 0.85 ALDH1A1 (0.38) BCHEACHEALDH1A1MAPK14KDM4E
SCHEMBL21477577 0.76
SCHEMBL31300307 0.76 PDE10A (0.47) ALDH1A1KDM4ECYP1A2SMN1; SMN2NPSR1
SCHEMBL1102411 0.76 PDE10A (0.47) ALDH1A1KDM4ECYP1A2SMN1; SMN2NPSR1
SCHEMBL2928822 0.75 BCHE (0.46) BCHEACHEALDH1A1MAPK14KDM4E
SCHEMBL1104821 0.75 BCHE (0.54) BCHEACHEALDH1A1MAPK14KDM4E
SCHEMBL2611073 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12338378 0.74
SCHEMBL15423517 0.73 ALDH1A1 (0.40) BCHEACHEALDH1A1MAPK14KDM4E
SCHEMBL2611076 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EOGALMNASMN1; SMN2

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-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-08-17 US disclosed
EP-3838897-A2 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-06-23 EP disclosed
WO-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-12-03 US disclosed
US-9533986-B2 Bicyclic dihydropyridone kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-01-03 US disclosed
US-9469654-B2 Bicyclic oxa-lactam kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2016-10-18 US disclosed
US-20150266871-A1 BICYCLIC DIHYDROPYRIDONE KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-24 US disclosed
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-10 US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20140323722-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-10-30 US disclosed
US-8754113-B2 Oxadiazole derivative having endothelial lipase inhibitory activity SHIONOGI & CO., LTD. (JP) 2014-06-17 US disclosed
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-20120253040-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-10-04 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 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 (8 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-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity MAP2K2, MAP2K5, MAP2K4 BCHE 4464/4885ACHE 3461/4885ALDH1A1 3315/4885
US-20150266871-A1 BICYCLIC DIHYDROPYRIDONE KINASE INHIBITORS SYK, JAK2, ZAP70 BCHE 4442/4885ACHE 4692/4885ALDH1A1 3414/4885
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS SYK, BTK, JAK2 BCHE 2611/4885ACHE 4230/4885ALDH1A1 4320/4885
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS SYK, LCK, BTK BCHE 4275/4885ACHE 4393/4885ALDH1A1 4736/4885
US-20120253040-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY LIPG, LPL, CEL BCHE 281/4885ACHE 215/4885ALDH1A1 2861/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 BCHE 759/4885ACHE 2864/4885ALDH1A1 543/4885
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K2, MAP2K4, MAP2K5 BCHE 4405/4885ACHE 3230/4885ALDH1A1 3270/4885
US-20140323722-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY LIPG, CEL, LPL BCHE 98/4885ACHE 84/4885ALDH1A1 2052/4885

“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.