SCHEMBL934301

SCHEMBL934301

CN1CCN(c2ccn[c]n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.49
HRH3 Q9Y5N1 3/20 0.49
HTR3A P46098 7/20 0.45
HTR3E A5X5Y0 4/20 0.45
HTR3B O95264 4/20 0.45
HTR3D Q70Z44 4/20 0.45
HTR3C Q8WXA8 4/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 4/20 0.45
KDM4E B2RXH2 1/20 0.45
THPO P40225 1/20 0.45
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
USP2 O75604 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CYP2D6 P10635 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 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
SCHEMBL1526838 0.82 CHKA (0.39) HRH4ALDH1A1CYP1A2KDM4EHSD17B10
SCHEMBL15415235 0.82 CHKA (0.34) HRH4HRH3ALDH1A1CYP1A2
SCHEMBL15415674 0.81 CYP1A2 (0.40) HRH4ALDH1A1CYP1A2KDM4EHSD17B10
SCHEMBL7303410 0.81 CYP1A2 (0.40) HRH4ALDH1A1CYP1A2KDM4EHSD17B10
SCHEMBL1521529 0.78 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL1110243 0.78 PIK3CA (0.44) ALDH1A1CYP1A2KDM4EHSD17B10CLK4
SCHEMBL1110327 0.78 PLD1 (0.49) HRH4HRH3HTR3AHTR3EHTR3B
SCHEMBL12614365 0.77 PIM1 (0.42)
SCHEMBL994106 0.75 HRH4 (0.39) HRH4HRH3HTR3ACYP2D6
SCHEMBL6068632 0.70 HTR3A (0.51) HRH4HRH3HTR3AHTR3EHTR3B

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 31 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
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
EP-1962830-B1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC (US) 2013-03-27 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
US-7495102-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORPORATION (US) 2009-02-24 US claimed
EP-1962830-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-09-03 EP claimed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 US claimed
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed
EP-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP disclosed
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP disclosed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP disclosed
US-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 US disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 US disclosed
US-7282588-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM (US) 2007-10-16 US disclosed
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
US-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2007-06-28 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 (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-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HRH4 3399/4885HRH3 2284/4885HTR3A 3589/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HRH4 3399/4885HRH3 2284/4885HTR3A 3589/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 HRH4 4515/4885HRH3 4439/4885HTR3A 4501/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HRH4 3399/4885HRH3 2284/4885HTR3A 3589/4885

“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.