SCHEMBL4073789

SCHEMBL4073789

[c]1cccc(NCC2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 3/20 0.40
IDH1 O75874 2/20 0.38
HRH4 Q9H3N8 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 1/20 0.35
UTS2R Q9UKP6 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
PIM1 P11309 1/20 0.33
ACHE P22303 1/20 0.33
IDH2 P48735 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL16834455 0.80 IRAK4 (0.36) IRAK4
SCHEMBL19029785 0.73
SCHEMBL4071667 0.72 CTSK (0.37) MEN1KMT2APIM1
SCHEMBL12615849 0.71 HRH4 (0.36) GPR39IDH1HRH4GRIN2BPIM1
SCHEMBL797462 0.70 GPR39 (0.60) GPR39HRH4GRIN2B
SCHEMBL4067874 0.69 CTSK (0.45) MEN1KMT2A
SCHEMBL12471275 0.68
SCHEMBL2900450 0.68 GPR39 (0.43) GPR39IDH1HRH4MEN1KMT2A
SCHEMBL13685245 0.68 IDH1 (0.43) GPR39IDH1HRH4MEN1KMT2A
SCHEMBL17700718 0.68 CRHR1 (0.51) GPR39IDH1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO claimed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-08 US disclosed
US-9624213-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-18 US disclosed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
WO-2008125811-A1 N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-23 WO disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 US disclosed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed
WO-2008093064-A1 L-ALANINE DERIVATIVES AS α5 BETA 1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO 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-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGB5 GPR39 1180/4885IDH1 2799/4885HRH4 1158/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B GPR39 838/4885IDH1 3033/4885HRH4 583/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 GPR39 3599/4885IDH1 1764/4885HRH4 3428/4885
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ITGB1, ITGA2B, ITGB5 GPR39 1408/4885IDH1 2603/4885HRH4 1781/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 GPR39 3599/4885IDH1 1764/4885HRH4 3428/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 GPR39 2480/4885IDH1 15/4885HRH4 4515/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 GPR39 3599/4885IDH1 1764/4885HRH4 3428/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 GPR39 3599/4885IDH1 1764/4885HRH4 3428/4885

“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.