SCHEMBL2594613

SCHEMBL2594613

C[C@@H]1CN(c2ccc(C#N)cc2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HRH3 Q9Y5N1 5/20 0.46
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
MAPT P10636 1/20 0.44
ACVR1 Q04771 1/20 0.44
KHK P50053 2/20 0.43
BCL2A1 Q16548 2/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHEK1 O14757 2/20 0.40
MLNR O43193 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6125344 1.00 KDM4E (0.49) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL2594614 1.00 KDM4E (0.49) KDM4ETP53HRH3CHRNA10CHRNA9
Hydrochloric Acid SCHEMBL709249 0.98 KDM4E (0.47) KDM4ETP53HRH3CHRNA10CHRNA9
Hydrochloric Acid SCHEMBL709248 0.98 KDM4E (0.47) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL6811968 0.84 MAPT (0.44) KDM4EHRH3MAPTACVR1KHK
SCHEMBL17530519 0.83 HRH3 (0.51) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL7601522 0.82 KDM4E (0.51) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL20158985 0.81 DRD2 (0.63) MAPTKHKMLNR
Hydrochloric Acid SCHEMBL1481589 0.81 HRH3 (0.50) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL24123867 0.81 ADRB1 (0.58) MAPTKHKBCL2A1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566859-B1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO LTD (KR) 2016-12-21 EP disclosed
US-9096571-B2 Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-08-04 US disclosed
CN-103025721-B Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO LTD 2015-06-17 CN disclosed
US-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-08-15 US disclosed
CN-103025721-A Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO LTD 2013-04-03 CN disclosed
EP-2566859-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Sk Chemicals Co., Ltd. (KR) 2013-03-13 EP disclosed
WO-2011139107-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO.,LTD. (KR) 2011-11-10 WO disclosed
US-7825122-B2 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. (US) 2010-11-02 US disclosed
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 US disclosed
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 US disclosed
WO-2007070506-A2 DIAZA HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2007-06-21 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 (2 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-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses GLP1R, GPR119, INSR KDM4E 2658/4885TP53 3448/4885HRH3 2206/4885
US-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME HSD11B1, HSD11B2, G6PC1 KDM4E 2000/4885TP53 3457/4885HRH3 3547/4885

“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.