SCHEMBL17095658

SCHEMBL17095658

Nc1ccnc(N2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
CHRM1 P11229 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
HRH4 Q9H3N8 2/20 0.54
OPRD1 P41143 8/20 0.49
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
CNR2 P34972 1/20 0.45
KCNH2 Q12809 3/20 0.44
CXCR4 P61073 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL30988524 1.00 GRIN2D (0.55) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL465754 0.98 GRIN2D (0.57) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL1811254 0.94 GRIN2D (0.57) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL2378294 0.81 HRH4 (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL30349346 0.81 HRH4 (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL30441864 0.81 PIK3CA (0.58) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL28978587 0.81 GRIN2D (0.53) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL1557331 0.81 HRH3 (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL247194 0.81 PIK3CA (0.58) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL25308560 0.79 OPRD1 (0.57) GRIN2DGRIN3BCHRM1ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US claimed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-06-02 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180127377-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-05-10 US disclosed
US-20180127377-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-05-10 US disclosed
US-9745271-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2017-08-29 US disclosed
US-9745271-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2017-08-29 US disclosed
US-9745271-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2017-08-29 US disclosed
EP-3119393-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF Samumed, LLC (US) 2017-01-25 EP disclosed
US-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2015-09-24 US disclosed
WO-2015143380-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2015-09-24 WO disclosed
US-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2015-09-24 US disclosed
US-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2015-09-24 US disclosed
WO-2015143380-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2015-09-24 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-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, WNT1 GRIN2D 4470/4885GRIN3B 4268/4885CHRM1 3220/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 GRIN2D 4802/4885GRIN3B 4556/4885CHRM1 4651/4885
US-20180127377-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, WNT1 GRIN2D 4470/4885GRIN3B 4268/4885CHRM1 3220/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 GRIN2D 4802/4885GRIN3B 4556/4885CHRM1 4651/4885
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 GRIN2D 1128/4885GRIN3B 71/4885CHRM1 1171/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRIN2D 4241/4885GRIN3B 3817/4885CHRM1 4264/4885
US-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, WNT1 GRIN2D 4470/4885GRIN3B 4268/4885CHRM1 3220/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS GRIN2D 4750/4885GRIN3B 4131/4885CHRM1 4810/4885

“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.