SCHEMBL12874697

SCHEMBL12874697

Nc1ccc2c(C3=CCNCC3)c[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 4/20 0.52
MAPT P10636 3/20 0.52
DRD2 P14416 1/20 0.52
ALOX15 P16050 1/20 0.52
HTR6 P50406 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTR1D P28221 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
BRCA1 P38398 1/20 0.45
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
JAK2 O60674 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
SCHEMBL12874684 0.86 HTR2C (0.52) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL12874687 0.83 HTR2C (0.52) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL12874811 0.83 HTR2C (0.52) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL12874691 0.83 HTR2C (0.52) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL13021134 0.81 HTR2C (0.50) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL12889425 0.80 KDM4E (0.54) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL12874712 0.79 HTR2C (0.54) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL12874741 0.78 KDM4E (0.47) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL7104015 0.78 KDM4E (0.60) HTR2CKDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL18129771 0.77 HTR2C (0.46) HTR2CKDM4EALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 US disclosed
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
EP-1911759-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-16 EP 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 (4 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-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TANK, NFKBIA, TBK1 HTR2C 2960/4885KDM4E 320/4885ALDH1A1 4103/4885
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 HTR2C 142/4885KDM4E 1882/4885ALDH1A1 2051/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 HTR2C 134/4885KDM4E 1732/4885ALDH1A1 1908/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 HTR2C 3080/4885KDM4E 301/4885ALDH1A1 4103/4885

“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.